| SpectraBase Spectrum ID |
5208yVt7jaV |
| Name |
Cholest-5-ene-3.beta.,4.beta.-diol |
| Alternate Name(s) |
(3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey |
CZDKQKOAHAICSF-JSAMMMMSSA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
O[C@@]1(C=2[C@](CC[C@@]1(O)[H])([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0uxr-0093500000-dba4bca9974b815853e8 |
| Source of Spectrum |
F-65-2777-8 |
| Wiley ID |
1681242 |
