| SpectraBase Spectrum ID |
G9mBgmKGUyU |
| Name |
6.alpha.-Acetoxy-4-oxa-4a-homocholest-4a-en-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O4 |
| InChI |
InChI=1S/C29H46O4/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-26(33-20(4)30)25-17-32-27(31)13-15-29(25,6)24(21)12-14-28(22,23)5/h17-19,21-24,26H,7-16H2,1-6H3/t19-,21+,22-,23+,24+,26+,28-,29-/m1/s1 |
| InChIKey |
WCVKPVHLDWEZAU-CWLZQRTDSA-N |
| Molecular Weight |
458.683 g/mol |
| SMILES |
C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C[C@@]2(OC(=O)C)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC(OC1)=O)C |
| SPLASH |
splash10-0002-0009100000-ea7fb480338eb81a05e0 |
| Source of Spectrum |
KC-1992-1740-35 |
| Synonyms |
(5aR,5bS,7aR,8R,10aS,10bS,12S)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-3-oxo-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-12-yl acetate |
| Wiley ID |
776420 |
