| SpectraBase Spectrum ID |
eEIKaZE8FM |
| Name |
3,4-Secocholest-5-en-3-oic acid, 4-hydroxy-, .epsilon.-lactone |
| CAS Registry Number |
22041-95-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O2 |
| InChI |
InChI=1S/C27H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-29-25(28)14-16-26(20,4)24(21)13-15-27(22,23)5/h9,18-19,21-24H,6-8,10-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey |
IVFOMFIUFYAWDG-HZPUXBNGSA-N |
| Molecular Weight |
400.647 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(=O)OC4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0f7c-9072600000-4622b53d4b7e2153e06f |
| Source of Spectrum |
AJ-60-1080-13 |
| Synonyms |
3H-Cyclopenta[5,6]naphth[2,1-c]oxepin, A-homo-4-oxacholest-5-en-3-one deriv.
A-Homo-4-oxacholest-5-en-3-one
(5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-1,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3-one
4-Oxa-a-homocholest-5-en-3-one |
| Wiley ID |
1369738 |
