| SpectraBase Spectrum ID |
4ieZKtbnUM5 |
| Name |
27-Norergosta-5,22-dien-26-oic acid, 3-hydroxy-23-methyl-, methyl ester, (3.beta.,22E,24S)- |
| CAS Registry Number |
114068-39-2 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O3 |
| InChI |
InChI=1S/C29H46O3/c1-18(19(2)16-27(31)32-6)15-20(3)24-9-10-25-23-8-7-21-17-22(30)11-13-28(21,4)26(23)12-14-29(24,25)5/h7,15,19-20,22-26,30H,8-14,16-17H2,1-6H3/b18-15+/t19-,20+,22-,23-,24+,25-,26-,28-,29+/m0/s1 |
| InChIKey |
BKPPWZVEYXUFKY-BBGLYZAQSA-N |
| Molecular Weight |
442.684 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C\([C@](CC(=O)OC)(C)[H])C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0kfx-0093700000-022195cebf1b24c6fcc5 |
| Source of Spectrum |
KC-1987-1303-25 |
| Synonyms |
(23E,24S)-methyl 3.beta.-hydroxy-23,24-dimethyl-27-nor-cholesta-5,22-dien-26-oate
Methyl (3S,4E,6R)-6-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]-3,4-dimethylhept-4-enoate |
| Wiley ID |
1385524 |
