| SpectraBase Spectrum ID |
nSJfDMQbgU |
| Name |
5-.alpha.-Cholest-16-en-3.beta.-ol 3.beta.-benzoate |
| Alternate Name(s) |
Benzoic acid (3S,5S,8R,9S,10S,13S,14S)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-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 |
C34H50O2 |
| InChI |
InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,16,23-24,26-28,30-31H,9-11,14-15,17-22H2,1-5H3/t24-,26+,27+,28+,30+,31+,33+,34-/m1/s1 |
| InChIKey |
SWTNLBZSTGTYOD-SWVOSIMQSA-N |
| Molecular Weight |
490.772 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])[C@@](CCCC(C)C)(C)[H])C |
| SPLASH |
splash10-056r-0714900000-5633cb2982202af7336f |
| Source of Spectrum |
G2-3-372-8 |
| Wiley ID |
1661483 |
