| SpectraBase Spectrum ID |
AMW1OzvbmDA |
| Name |
Stigmastanol-3-beta-p-glyceroxydihydrocoumaroate |
| Alternate Name(s) |
(3S,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-(4-(2,3-dihydroxypropoxy)phenyl)propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H66O5 |
| InChI |
InChI=1S/C41H66O5/c1-7-30(27(2)3)12-8-28(4)36-17-18-37-35-16-13-31-24-34(20-22-40(31,5)38(35)21-23-41(36,37)6)46-39(44)19-11-29-9-14-33(15-10-29)45-26-32(43)25-42/h9-10,14-15,27-28,30-32,34-38,42-43H,7-8,11-13,16-26H2,1-6H3/t28-,30-,31+,32?,34+,35+,36-,37+,38+,40+,41-/m1/s1 |
| InChIKey |
IPACXLCTDHGFER-JDFAKGMDSA-N |
| Literature Reference DOI |
10.1002/pca.879 |
| Molecular Weight |
638.974 g/mol |
| SMILES |
OCC(COc1ccc(CCC(O[C@@]2(C[C@]3([C@]([C@@]4([C@@]([C@]5([C@]([C@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])([H])CC5)(C)CC4)[H])([H])CC3)[H])(C)CC2)[H])[H])=O)cc1)O |
| SPLASH |
splash10-0532-6559000000-f8c21ccc3580290700fe |
| Source of Spectrum |
PA-17-39-1 |
| Wiley ID |
1789520 |
