| SpectraBase Spectrum ID |
2vEPk7Lzyy |
| Name |
6-.beta.-Hydroxy-4-oxa-4a-homo-5.beta.cholest-4a-en-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-19-15-24(28)23-16-30-25(29)12-14-27(23,5)22(19)11-13-26(20,21)4/h16-22,24,28H,6-15H2,1-5H3/t18-,19+,20-,21+,22+,24-,26-,27-/m1/s1 |
| InChIKey |
GMKCJNKCTFZWPD-KQARADNUSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
O[C@]1(C=2[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(C1)[H])[H])(CCC(=O)OC2)C)[H] |
| SPLASH |
splash10-0002-0009300000-1f201ccf3927efa8eb07 |
| Source of Spectrum |
KC-1992-1739-31 |
| Synonyms |
(5aR,5bS,7aR,8R,10aS,10bS,12R)-8-[(1R)-1,5-dimethylhexyl]-12-hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3-one |
| Wiley ID |
776423 |
