| SpectraBase Spectrum ID |
Eaf4WxziL1F |
| Name |
7a-oxa-B-homo-5.alpha.-cholestan-7-one |
| Alternate Name(s) |
(1R,3aR,3bR,6aR,10aS,10bR,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethylhexadecahydro-5H-indeno[5,4-a][3]benzoxepin-5-one |
| CAS Registry Number |
96616-60-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(28)29-25/h18-23,25H,6-17H2,1-5H3/t19-,20-,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey |
ULSWKDKCDDGDBW-KXSIRNOESA-N |
| Molecular Weight |
402.663 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(OC(C[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000b-8901100000-98aed2c2fbeea31b1352 |
| Source of Spectrum |
J-50-2493-32 |
| Wiley ID |
1370692 |
