CAS号:66575-29-9-佛司可林 - Forskolin-科华智慧

1. 主信息

英文名:	Forskolin
中文名:	佛司可林
CAS编号:	66575-29-9
化学分子式：	C₂₂H₃₄O₇
化学分子量：	410.5 g/mol
SMILES：	CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O
来源：	-
结构类型：	倍半萜类
其它名称或标识：	Coleonol colforsin Forskolin N,N-dimethyl-beta-alanine-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester HCl NKH 477

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	≥95%（HPLC）	120	点击购买	-20℃	现货	-
科华智慧	100mg	≥95%（HPLC）	460	点击购买	-20℃	现货	-
科华智慧	250mg	≥95%（HPLC）	960	点击购买	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 63 65 0 1 0 0 0 0 0999 V2000 2.4734 0.4384 -0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -1.1038 1.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 1.8416 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 2.7526 -0.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 -2.6898 1.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -3.3435 -0.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 3.8471 1.4796 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -1.1679 -0.4205 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7932 0.0728 0.2836 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4965 -1.0376 -0.1087 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1363 0.3186 -0.5573 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3755 0.0487 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1694 1.4503 -0.0810 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7151 -2.4867 0.1673 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3550 1.4765 0.1244 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8611 -1.3184 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -2.5107 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2802 -1.2344 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 -2.1941 -0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 0.5583 -2.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9167 1.1218 1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0524 0.3310 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -0.6766 -0.0822 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8410 -1.8866 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 -0.1607 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -1.0611 1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3008 3.8270 0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 -0.2259 2.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 5.0131 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 -0.0425 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 2.1965 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -3.3626 -0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 1.4029 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 -1.3889 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -1.3943 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -3.4220 0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 -2.5607 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 -0.2593 -2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 -1.8219 -2.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 -1.7302 -2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 1.2543 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5008 -0.3539 -2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 0.9878 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 1.0461 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 1.0026 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7635 2.1383 0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 -0.3614 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 1.3474 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1426 0.2442 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -2.7827 -0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9251 -1.7255 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 -0.4340 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 2.7014 -1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3856 -2.8648 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -0.9325 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 0.1793 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 0.7083 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 -2.0639 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 -0.5679 3.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.8026 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3903 5.2590 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 5.8728 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 4.8057 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 52 1 0 0 0 0 3 13 1 0 0 0 0 3 53 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 14 1 0 0 0 0 5 54 1 0 0 0 0 6 19 2 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 24 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate

4.2 InChl

InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1

4.3 InChlKey

OHCQJHSOBUTRHG-KGGHGJDLSA-N

4.4 Canonical SMILES

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

4.5 lsomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.866025 -4.5 0 0
M  V30 2 C 1.73205 -4 0 0
M  V30 3 O 2.59808 -4.5 0 0
M  V30 4 O 1.73205 -3 0 0
M  V30 5 C 0.866025 -2.5 0 0
M  V30 6 C 2.22045e-16 -3 0 0
M  V30 7 C -0.866025 -2.5 0 0
M  V30 8 C -1.73205 -3 0 0
M  V30 9 C -2.59808 -2.5 0 0
M  V30 10 C -2.59808 -1.5 0 0
M  V30 11 C -1.73205 -1 0 0
M  V30 12 C -0.866025 -1.5 0 0
M  V30 13 C 3.88578e-16 -1 0 0
M  V30 14 C 0.866025 -1.5 0 0
M  V30 15 O 1.73205 -1 0 0
M  V30 16 C 1.73205 -2.22045e-16 0 0
M  V30 17 C 0.866025 0.5 0 0
M  V30 18 C 0 0 0 0
M  V30 19 O -0.866025 0.5 0 0
M  V30 20 C 2.73205 6.66134e-16 0 0
M  V30 21 C 2.23205 0.866025 0 0
M  V30 22 C 1.73205 1.73205 0 0
M  V30 23 C 1.73205 -2 0 0
M  V30 24 O -0.866025 -0.5 0 0
M  V30 25 C -0.866025 -0.5 0 0
M  V30 26 O -1.73205 1.11022e-15 0 0
M  V30 27 C -2.23205 -3.86603 0 0
M  V30 28 C -1.23205 -3.86603 0 0
M  V30 29 O 4.44089e-16 -4 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 4
M  V30 4 1 4 5
M  V30 5 1 5 14
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 29
M  V30 9 1 7 12
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 8 27
M  V30 13 1 8 28
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 1 11 26
M  V30 18 1 12 13
M  V30 19 1 12 25
M  V30 20 1 13 18
M  V30 21 1 13 14
M  V30 22 1 13 24
M  V30 23 1 14 15
M  V30 24 1 14 23
M  V30 25 1 15 16
M  V30 26 1 16 17
M  V30 27 1 16 20
M  V30 28 1 16 21
M  V30 29 1 17 18
M  V30 30 2 18 19
M  V30 31 2 21 22
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
毛喉鞘蕊花	Forskahl Coleus	Coleus forskahlii
秋水仙	Meadow Saffron	Colchicum autumnale
圆瓣姜花	Forrest Gingerlily	Hedychium forrestii

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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