| SpectraBase Spectrum ID |
8S4y5MoFPrL |
| Name |
3.beta.-Hydroxy-5.alpha.-cholest-16-en-15-one 3.beta.-benzoate |
| Alternate Name(s) |
Benzoic acid (3S,5S,8R,9S,10S,13S,14S)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-15-oxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H48O3 |
| InChI |
InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)29-21-30(35)31-27-15-14-25-20-26(37-32(36)24-12-7-6-8-13-24)16-18-33(25,4)28(27)17-19-34(29,31)5/h6-8,12-13,21-23,25-28,31H,9-11,14-20H2,1-5H3/t23-,25+,26+,27-,28+,31-,33+,34-/m1/s1 |
| InChIKey |
ZGTGZAFXGXHJOL-NJLHILDSSA-N |
| Molecular Weight |
504.755 g/mol |
| SMILES |
[C@@]12(C(=CC([C@]2([C@@]2(CC[C@@]3([C@@]([C@]2(CC1)[H])(CC[C@](OC(=O)c1ccccc1)(C3)[H])C)[H])[H])[H])=O)[C@@](CCCC(C)C)(C)[H])C |
| SPLASH |
splash10-0a4i-0794120000-a0b3fbdf101ed365c06e |
| Source of Spectrum |
G2-3-372-9 |
| Wiley ID |
1661481 |
