CAS号:94705-70-1-七叶胆苷 XLVI - Gypenoside XLVI-科华智慧

1. 主信息

英文名:	Gypenoside XLVI
中文名:	七叶胆苷 XLVI
CAS编号:	94705-70-1
化学分子式：	C₄₈H₈₂O₁₉
化学分子量：	963.2 g/mol
SMILES：	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C
来源：	-
结构类型：	-
其它名称或标识：	gypenoside XLVI

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	20mg	HPLC≥97%	1440	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

补充中

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4. 国际命名与标识

4.1 IUPAC Name

2-[2-[[2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)63-42)22-11-14-47(7)30(22)23(52)16-29-45(5)17-24(53)40(44(3,4)28(45)12-15-46(29,47)6)66-43-39(36(59)33(56)27(20-51)64-43)65-41-37(60)34(57)31(54)25(18-49)62-41/h10,22-43,49-61H,9,11-20H2,1-8H3

4.3 InChlKey

VENRSYBHHVDBDC-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 67 73 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.10285 -6.26801 0 0
M  V30 2 C 3.10285 -6.26801 0 0
M  V30 3 C 3.60285 -5.40198 0 0
M  V30 4 C 3.10285 -4.53596 0 0
M  V30 5 C 3.60285 -3.66993 0 0
M  V30 6 C 3.10285 -2.8039 0 0
M  V30 7 C 2.23683 -3.3039 0 0
M  V30 8 C 2.60285 -1.93788 0 0
M  V30 9 C 3.00959 -1.02433 0 0
M  V30 10 C 2.26644 -0.355203 0 0
M  V30 11 C 1.40042 -0.855203 0 0
M  V30 12 C 1.60833 -1.83335 0 0
M  V30 13 C 0.865186 -2.50248 0 0
M  V30 14 C -0.085871 -2.19346 0 0
M  V30 15 C -0.293783 -1.21532 0 0
M  V30 16 C 0.449362 -0.546186 0 0
M  V30 17 C 0.24145 0.431962 0 0
M  V30 18 C -0.709606 0.740979 0 0
M  V30 19 C -1.45275 0.0718481 0 0
M  V30 20 C -1.24484 -0.906299 0 0
M  V30 21 C -1.98798 -1.57543 0 0
M  V30 22 C -2.93904 -1.26641 0 0
M  V30 23 C -3.14695 -0.288266 0 0
M  V30 24 C -2.40381 0.380865 0 0
M  V30 25 C -3.07294 1.12401 0 0
M  V30 26 C -2.09479 1.33192 0 0
M  V30 27 O -4.09801 0.0207515 0 0
M  V30 28 C -4.30592 0.998899 0 0
M  V30 29 C -3.56278 1.66803 0 0
M  V30 30 C -3.77069 2.64618 0 0
M  V30 31 C -4.72174 2.95519 0 0
M  V30 32 C -5.46489 2.28606 0 0
M  V30 33 O -5.25698 1.30792 0 0
M  V30 34 C -6.41595 2.59508 0 0
M  V30 35 O -6.62386 3.57323 0 0
M  V30 36 O -4.92966 3.93334 0 0
M  V30 37 O -3.02754 3.31531 0 0
M  V30 38 O -2.61172 1.35901 0 0
M  V30 39 C -1.86857 2.02814 0 0
M  V30 40 C -0.917518 1.71913 0 0
M  V30 41 C -0.174373 2.38826 0 0
M  V30 42 C -0.382285 3.3664 0 0
M  V30 43 C -1.33334 3.67542 0 0
M  V30 44 O -2.07649 3.00629 0 0
M  V30 45 C -1.54125 4.65357 0 0
M  V30 46 O -0.798108 5.3227 0 0
M  V30 47 O 0.36086 4.03554 0 0
M  V30 48 O 0.776684 2.07924 0 0
M  V30 49 O -0.709606 0.740979 0 0
M  V30 50 O -3.68219 -1.93554 0 0
M  V30 51 C -1.03693 -1.88445 0 0
M  V30 52 C 1.19251 0.122945 0 0
M  V30 53 O 1.0731 -3.48063 0 0
M  V30 54 C 0.812633 -0.0461859 0 0
M  V30 55 O 3.96888 -2.3039 0 0
M  V30 56 C 3.96888 -1.3039 0 0
M  V30 57 C 4.8349 -0.803904 0 0
M  V30 58 C 4.8349 0.196096 0 0
M  V30 59 C 3.96888 0.696096 0 0
M  V30 60 C 3.10285 0.196096 0 0
M  V30 61 O 3.10285 -0.803904 0 0
M  V30 62 C 2.23683 0.696096 0 0
M  V30 63 O 2.23683 1.6961 0 0
M  V30 64 O 3.96888 1.6961 0 0
M  V30 65 O 5.70093 0.696096 0 0
M  V30 66 O 5.70093 -1.3039 0 0
M  V30 67 C 3.60285 -7.13403 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 67
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 55
M  V30 10 1 8 12
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 16
M  V30 15 1 11 12
M  V30 16 1 11 54
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 13 53
M  V30 20 1 14 15
M  V30 21 1 15 20
M  V30 22 1 15 16
M  V30 23 1 16 17
M  V30 24 1 16 52
M  V30 25 1 17 18
M  V30 26 1 18 19
M  V30 27 1 19 24
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 20 51
M  V30 31 1 21 22
M  V30 32 1 22 23
M  V30 33 1 22 50
M  V30 34 1 23 24
M  V30 35 1 23 27
M  V30 36 1 24 25
M  V30 37 1 24 26
M  V30 38 1 27 28
M  V30 39 1 28 33
M  V30 40 1 28 29
M  V30 41 1 29 30
M  V30 42 1 29 38
M  V30 43 1 30 31
M  V30 44 1 30 37
M  V30 45 1 31 32
M  V30 46 1 31 36
M  V30 47 1 32 33
M  V30 48 1 32 34
M  V30 49 1 34 35
M  V30 50 1 38 39
M  V30 51 1 39 44
M  V30 52 1 39 40
M  V30 53 1 40 41
M  V30 54 1 40 49
M  V30 55 1 41 42
M  V30 56 1 41 48
M  V30 57 1 42 43
M  V30 58 1 42 47
M  V30 59 1 43 44
M  V30 60 1 43 45
M  V30 61 1 45 46
M  V30 62 1 55 56
M  V30 63 1 56 61
M  V30 64 1 56 57
M  V30 65 1 57 58
M  V30 66 1 57 66
M  V30 67 1 58 59
M  V30 68 1 58 65
M  V30 69 1 59 60
M  V30 70 1 59 64
M  V30 71 1 60 61
M  V30 72 1 60 62
M  V30 73 1 62 63
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
绞股蓝	Gynostemmae Pentaphylli Herba	-

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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