| SpectraBase Compound ID | LoVy8sbulXq |
|---|---|
| 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 |
| Mol Weight | 479.7 g/mol |
| Molecular Formula | C32H49NO2 |
| Exact Mass | 479.37633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2cXqsq9dw79 |
|---|---|
| Name | (3.beta.)-Acetoxy-23-(1,3-dimethyl-1,2,5,6-tetrahydropyridin-4-yl)-24-nor-5.alpha.,22E-chola-7,22-diene |
| Alternate Name(s) | (3S,5S,9R,10S,13R,14R,17R)-17-((R,E)-4-(1,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)but-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ac Acetic acid [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-4-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-4-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,1R)-3-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-1-methyl-allyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R)-4-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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] |
| SPLASH | splash10-03di-6721900000-cfd3adf0947566708730 |
| Source of Spectrum | F-70-1088-7 |
| Wiley ID | 1742431 |