| SpectraBase Spectrum ID |
IR89lVqjIxC |
| Name |
2H-Cyclopenta[5,6]naphth[1,2-d]oxepin, A-homo-3-oxacholestane-2,4-dione deriv. |
| Alternate Name(s) |
A-Homo-3-oxacholestane-2,4-dione, (5.alpha.)-
(5aS,5bS,7aR,8R,10aS,10bR,12aS)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyltetradecahydro-2H-cyclopenta[5,6]naphtho[1,2-d]oxepin-2,4(1H)-dione
3-oxa-a-homo-5.alpha.-cholestane-2,4-dione
4a-homo-3-oxa-5.alpha.-cholestan-2,4-dione |
| CAS Registry Number |
2696-52-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)30-25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,26-,27+/m1/s1 |
| InChIKey |
WRMXUZMRKCNROQ-XPFWUWIUSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC(OC(C4)=O)=O)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0006-9000200000-f4cd1d1eb0c58e8d57b1 |
| Source of Spectrum |
KC-1990-1243-13 |
| Wiley ID |
1376627 |
![2H-Cyclopenta[5,6]naphth[1,2-d]oxepin, A-homo-3-oxacholestane-2,4-dione deriv.](/api/spectrum/IR89lVqjIxC/structure.png?h=300&w=458 "2H-Cyclopenta[5,6]naphth[1,2-d]oxepin, A-homo-3-oxacholestane-2,4-dione deriv.")
