| SpectraBase Spectrum ID |
7jNQ6p0OMK3 |
| Name |
A-Homo-1-oxa-5,6-secocholest-3-en-6-al, 2-oxo-, (10.alpha.)- |
| Alternate Name(s) |
10-Hydroxy-6-oxo-5,6:5,10-disecocholest-3-en-5-oic acid lactone(5-10)
Oxepin, a-homo-1-oxa-5,6-secocholest-3-en-6-al deriv.
{(1R,3aS,4S,5S,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-[(2R)-2-methyl-7-oxo-2,3,4,7-tetrahydro-2-oxepinyl]octahydro-1H-inden-4-yl}acetaldehyde |
| CAS Registry Number |
84681-06-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-19(2)9-8-10-20(3)22-12-13-23-21(15-18-28)24(14-17-26(22,23)4)27(5)16-7-6-11-25(29)30-27/h6,11,18-24H,7-10,12-17H2,1-5H3/t20-,21+,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey |
UPMOCFXIGMDKHR-PUOFIRGJSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
[C@]12([C@]([C@@](CC=O)([H])[C@@]([C@@]3(OC(C=CCC3)=O)C)(CC1)[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-014s-0619000000-6ea651576717b43277a9 |
| Source of Spectrum |
C-105-1978-0 |
| Wiley ID |
1376614 |
