| SpectraBase Spectrum ID |
3Pz7x9z9UjC |
| Name |
A-Homo-1-oxa-5,6-secocholestan-6-al, 4-(acetyloxy)-2-oxo-, (4.alpha.,10.alpha.)- |
| CAS Registry Number |
84681-05-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O5 |
| InChI |
InChI=1S/C29H48O5/c1-19(2)8-7-9-20(3)24-10-11-25-23(14-17-30)26(13-15-28(24,25)5)29(6)16-12-22(33-21(4)31)18-27(32)34-29/h17,19-20,22-26H,7-16,18H2,1-6H3/t20-,22+,23+,24-,25+,26+,28-,29-/m1/s1 |
| InChIKey |
LFEWKGRRNHSJBY-WPAZHYIDSA-N |
| Molecular Weight |
476.698 g/mol |
| SMILES |
[C@]12([C@]([C@@](CC=O)([H])[C@@]([C@@]3(OC(C[C@](CC3)(OC(=O)C)[H])=O)C)(CC1)[H])(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00ke-0935700000-fbe547ef87e3315f7ae9 |
| Source of Spectrum |
C-105-1978-0 |
| Synonyms |
(4S,7R)-7-[(1R,3aS,4S,5S,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-4-(2-oxoethyl)octahydro-1H-inden-5-yl]-7-methyl-2-oxooxepanyl acetate
3.beta.-acetoxy-10-hydroxy-6-oxo-5,6,5,10-disecocholestan-5-oic acid
Oxepane, a-homo-1-oxa-5,6-secocholestan-6-al deriv. |
| Wiley ID |
1394413 |
