CAS号:23202-85-9-罗汉松树脂酚苷（罗汉松脂苷）

1. 主信息

英文名:	Matairesinoside
中文名:	罗汉松树脂酚苷（罗汉松脂苷）
CAS编号:	23202-85-9
化学分子式：	C₂₆H₃₂O₁₁
化学分子量：	520.5 g/mol
SMILES：	COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O
来源：	-
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥96%	2400	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 69 72 0 1 0 0 0 0 0999 V2000 -6.3264 -0.1080 -0.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 -0.4791 -1.4088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -2.2933 -0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 -0.7148 1.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 1.6938 -0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 -1.9610 1.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5946 -0.0823 -2.5649 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 1.5854 -3.1945 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 -2.5380 1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 2.7595 -0.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 2.7100 1.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 0.0363 0.7144 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0054 -0.3285 -0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7269 -0.3254 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 -1.7670 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9656 -0.2707 0.8164 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0375 1.5304 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 0.4606 -0.5046 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0434 -1.4746 0.6232 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8802 0.7409 -1.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7968 -1.0972 -0.1771 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3667 -0.1510 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 -1.9062 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 1.8448 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.3652 -2.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7048 -2.1672 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 -2.1597 0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 -1.7831 -1.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -2.2904 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1366 -1.9135 -1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 2.1607 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 1.8200 2.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 2.4522 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 2.1111 2.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 2.4272 1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 -2.6499 2.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 2.7629 -1.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 -0.5347 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 0.3659 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2424 0.2811 1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -1.3813 1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 -2.1389 -1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -2.4423 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5641 0.4124 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.1395 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6051 1.8568 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4189 2.1430 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 -2.2949 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.4262 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1721 -0.4045 0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 0.6890 -3.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 2.3217 -2.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1737 -2.2607 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -1.5825 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 -1.3387 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 2.2395 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 -1.2505 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7651 -1.8161 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 2.1897 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 1.5721 3.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 1.9821 -4.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 2.0865 3.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 -2.8420 3.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1448 -3.5046 2.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -1.7124 3.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5886 2.6397 2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 3.0471 -2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 3.5200 -2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 1.7643 -2.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 22 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 16 1 0 0 0 0 4 55 1 0 0 0 0 5 18 1 0 0 0 0 5 56 1 0 0 0 0 6 19 1 0 0 0 0 6 57 1 0 0 0 0 7 22 2 0 0 0 0 8 25 1 0 0 0 0 8 61 1 0 0 0 0 9 29 1 0 0 0 0 9 36 1 0 0 0 0 10 33 1 0 0 0 0 10 37 1 0 0 0 0 11 35 1 0 0 0 0 11 66 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 23 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 17 24 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 25 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 31 2 0 0 0 0 24 32 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one

4.2 InChl

InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1

4.3 InChlKey

AAGCATAPYOEULE-LHHMAMHXSA-N

4.4 Canonical SMILES

COC1=C(C=CC(=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O

4.5 lsomeric SMILES

COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 40 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 10.4526 5.76823 0 0
M  V30 2 O 9.50157 5.45921 0 0
M  V30 3 C 9.29366 4.48107 0 0
M  V30 4 C 10.0368 3.81194 0 0
M  V30 5 C 9.82889 2.83379 0 0
M  V30 6 C 8.87784 2.52477 0 0
M  V30 7 C 8.13469 3.1939 0 0
M  V30 8 C 8.3426 4.17205 0 0
M  V30 9 C 7.18363 2.88488 0 0
M  V30 10 C 6.97572 1.90674 0 0
M  V30 11 C 7.64485 1.16359 0 0
M  V30 12 O 7.14485 0.297566 0 0
M  V30 13 C 6.16671 0.505478 0 0
M  V30 14 O 5.42356 -0.163653 0 0
M  V30 15 C 6.06218 1.5 0 0
M  V30 16 C 5.19615 2 0 0
M  V30 17 C 4.33013 1.5 0 0
M  V30 18 C 4.33013 0.5 0 0
M  V30 19 C 3.4641 -2.27596e-15 0 0
M  V30 20 C 2.59808 0.5 0 0
M  V30 21 C 2.59808 1.5 0 0
M  V30 22 C 3.4641 2 0 0
M  V30 23 O 1.73205 -7.77156e-16 0 0
M  V30 24 C 0.866025 0.5 0 0
M  V30 25 C 0.866025 1.5 0 0
M  V30 26 C 3.44169e-15 2 0 0
M  V30 27 C -0.866025 1.5 0 0
M  V30 28 C -0.866025 0.5 0 0
M  V30 29 O 0 -0 0 0
M  V30 30 C -1.73205 3.08087e-15 0 0
M  V30 31 O -2.59808 0.5 0 0
M  V30 32 O -1.73205 2 0 0
M  V30 33 O 5.16254e-15 3 0 0
M  V30 34 O 1.73205 2 0 0
M  V30 35 O 3.4641 -1 0 0
M  V30 36 C 4.33013 -1.5 0 0
M  V30 37 O 10.9879 4.12095 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 37
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 9
M  V30 11 1 9 10
M  V30 12 1 10 15
M  V30 13 1 10 11
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 2 13 14
M  V30 17 1 13 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 17 22
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 19 35
M  V30 25 1 20 21
M  V30 26 1 20 23
M  V30 27 2 21 22
M  V30 28 1 23 24
M  V30 29 1 24 29
M  V30 30 1 24 25
M  V30 31 1 25 26
M  V30 32 1 25 34
M  V30 33 1 26 27
M  V30 34 1 26 33
M  V30 35 1 27 28
M  V30 36 1 27 32
M  V30 37 1 28 29
M  V30 38 1 28 30
M  V30 39 1 30 31
M  V30 40 1 35 36
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
鸡血藤	Suberect Spatholobus Stem	Caulis Millettiae; Caulis spatholobi
金钟花	Greenstem Forsythia	Forsythia viridissima
连翘	Weeping Forsythia Capsule	Fructus Forsythiae
络石藤	stem of Chinese starjasmine	Caulis Trachelospermi
日本安息香精辟	Japanese Snowbell Stem-bark	Styrax japonica
穗花罗汉松	Matai	Podocarpus spicatus

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型