| SpectraBase Spectrum ID |
8SWgxXd7zBN |
| Name |
Stigmastanol-3-beta-p-butanoxydihydrocoumaroate |
| 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-butoxyphenyl)propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H68O3 |
| InChI |
InChI=1S/C42H68O3/c1-8-10-27-44-34-17-12-31(13-18-34)14-22-40(43)45-35-23-25-41(6)33(28-35)16-19-36-38-21-20-37(42(38,7)26-24-39(36)41)30(5)11-15-32(9-2)29(3)4/h12-13,17-18,29-30,32-33,35-39H,8-11,14-16,19-28H2,1-7H3/t30-,32-,33+,35+,36+,37-,38+,39+,41+,42-/m1/s1 |
| InChIKey |
BWPGVSFBNQWUMW-NEMBLRHKSA-N |
| Literature Reference DOI |
10.1002/pca.879 |
| Molecular Weight |
621.003 g/mol |
| SMILES |
CC([C@](CC)(CC[C@@](C)([C@]1([H])[C@]2(CC[C@]3([H])[C@]4(C)[C@@]([H])(CC[C@@]3([H])[C@]2([H])CC1)C[C@@](OC(CCc1ccc(OCCCC)cc1)=O)(CC4)[H])C)[H])[H])C |
| SPLASH |
splash10-0c03-5934000000-96cc14a539e32ab301d6 |
| Source of Spectrum |
PA-17-39-2 |
| Wiley ID |
1789521 |
