| SpectraBase Spectrum ID |
1ozin4qjSIR |
| Name |
(3.beta.)-Acetoxy-23-(1,3-dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-nor-5.alpha.,22E-chola-7,22-diene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
479.376329820 u |
| Formula |
C32H49NO2 |
| InChI |
InChI=1S/C32H49NO2/c1-21(7-8-24-15-18-33(6)20-22(24)2)28-11-12-29-27-10-9-25-19-26(35-23(3)34)13-16-31(25,4)30(27)14-17-32(28,29)5/h7-8,10,21,25-26,28-30H,9,11-20H2,1-6H3/b8-7+/t21-,25+,26+,28-,29+,30+,31+,32-/m1/s1 |
| InChIKey |
ISTAHBMJIOBSMG-RZEQTIDSSA-N |
| Molecular Weight |
479.749 g/mol |
| SMILES |
C1=2[C@]3([C@@]([C@@]([C@@](\C=C\C4=C(CN(CC4)C)C)(C)[H])(CC3)[H])(CC[C@@]1([C@@]1([C@@](C[C@@](OC(=O)C)(CC1)[H])([H])CC2)C)[H])C)[H] |
