| SpectraBase Spectrum ID |
LpFRwDV0Jp9 |
| Name |
5-.alpha.-Cholest-3.beta.,16.beta.-diol 3.beta.-benzoate |
| Alternate Name(s) |
Benzoic acid (3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-((R)-1,5-dimethyl-hexyl)-16-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H52O3 |
| InChI |
InChI=1S/C34H52O3/c1-22(2)10-9-11-23(3)31-30(35)21-29-27-15-14-25-20-26(37-32(36)24-12-7-6-8-13-24)16-18-33(25,4)28(27)17-19-34(29,31)5/h6-8,12-13,22-23,25-31,35H,9-11,14-21H2,1-5H3/t23-,25+,26+,27-,28+,29+,30+,31+,33+,34+/m1/s1 |
| InChIKey |
UCXKAJOZLAAAHU-BCYIGDMRSA-N |
| Molecular Weight |
508.787 g/mol |
| SMILES |
O[C@@]1([C@@]([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)[H])[H])(C1)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H] |
| SPLASH |
splash10-0a4i-0912300000-fe7bdf7e3cab251c3311 |
| Source of Spectrum |
G2-3-372-6 |
| Wiley ID |
1661484 |
