| SpectraBase Spectrum ID |
CdyPZ14g4zn |
| Name |
5,6-Secocholest-2-en-1-one, 6,6-dimethoxy-, (10.alpha.)- |
| CAS Registry Number |
117457-63-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O3 |
| InChI |
InChI=1S/C29H50O3/c1-20(2)11-10-12-21(3)23-14-15-24-22(19-27(31-6)32-7)25(16-18-28(23,24)4)29(5)17-9-8-13-26(29)30/h8,13,20-25,27H,9-12,14-19H2,1-7H3/t21-,22?,23-,24+,25?,28+,29+/m1/s1 |
| InChIKey |
SAURSXLFVAPAPZ-IJHSEHESSA-N |
| Molecular Weight |
446.716 g/mol |
| SMILES |
[C@]12([C@](C(CC(OC)OC)C(CC2)[C@]2(C(C=CCC2)=O)C)(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-004i-9000000000-9dd6fcc9168959213f5c |
| Source of Spectrum |
I-66-1216-24 |
| Synonyms |
(6S)-6-{(1R,3aS,7aS)-4-(2,2-dimethoxyethyl)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-6-methyl-2-cyclohexen-1-one
6,6-Dimethoxy-5,6-seco-cholest-3-en-5-one |
| Wiley ID |
1386819 |
