| SpectraBase Spectrum ID |
Bhu3iH2eqUY |
| Name |
5,6-Seco-5.alpha.-cholestan-6-oic acid, 3.beta.,5-dihydroxy-, .epsilon.-lactone, acetate |
| CAS Registry Number |
20104-89-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,28-,29-/m1/s1 |
| InChIKey |
PMOBKBMULNPRQB-XVDRVFFOSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(O[C@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-014i-0009000000-da6decb5810fec224acd |
| Source of Spectrum |
I-66-223-10 |
| Synonyms |
5,6-Secocholestan-6-oic acid, 3.beta.,5.beta.-dihydroxy-, .epsilon.-lactone, acetate
5H-Benz[b]indeno[5,4-d]oxepin, B-homo-6-oxacholestan-7-one deriv.
B-Homo-6-oxacholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.alpha.)-
(1R,3aS,3bS,6aR,8S,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-5-oxohexadecahydro-1H-indeno[4,5-d][1]benzoxepin-8-yl acetate
3.beta.-acetoxy-6-oxa-b-homo-5.alpha.-cholestan-7-one |
| Wiley ID |
1390628 |
