| SpectraBase Spectrum ID |
8VGMQQxUPfl |
| Name |
(3.beta.)-Hydroxy-23-(3-methylpyridin-4-yl)-24-nor-5.alpha.,22E-chola-7,22-diene |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H41NO |
| InChI |
InChI=1S/C29H41NO/c1-19(5-6-21-13-16-30-18-20(21)2)25-9-10-26-24-8-7-22-17-23(31)11-14-28(22,3)27(24)12-15-29(25,26)4/h5-6,8,13,16,18-19,22-23,25-27,31H,7,9-12,14-15,17H2,1-4H3/b6-5+/t19-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
UXFCIRQBRFVBNU-JSBBQXDRSA-N |
| Molecular Weight |
419.653 g/mol |
| SMILES |
O[C@@]1(C[C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@@]([C@@](\C=C\c5c(cncc5)C)(C)[H])(CC4)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])[H] |
| SPLASH |
splash10-0aba-0940100000-5a95f7432b3f69580ef2 |
| Source of Spectrum |
F-70-1088-13 |
| Synonyms |
(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((R,E)-4-(3-methylpyridin-4-yl)but-3-en-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
1742429 |
