| SpectraBase Compound ID | KtB7fXhllIM |
|---|---|
| InChI | InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3 |
| InChIKey | DQCWPGBLFVRMDS-UHFFFAOYSA-N |
| Mol Weight | 497.7 g/mol |
| Molecular Formula | C31H47NO4 |
| Exact Mass | 497.350509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EHGBjldyF4e |
|---|---|
| Name | 16-(Acetyloxy)-20-(5-methyl-3,4,5,6-tetrahydro-2-pyridinyl)pregn-5-en-3-yl acetate |
| CAS Registry Number | 30040-85-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47NO4 |
| InChI | InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3 |
| InChIKey | DQCWPGBLFVRMDS-UHFFFAOYSA-N |
| Molecular Weight | 497.720 g/mol |
| SMILES | CC1CCC(=NC1)C(C)C1C(CC2C1(CCC1C2CC=C2C1(CCC(C2)OC(=O)C)C)C)OC(=O)C |
| SPLASH | splash10-03g1-0900800000-cd939a928f85d796b699 |
| Source of Spectrum | B-34-837-0 |
| Synonyms | 16-Epi-dihydro-22-solasodine 3,16-diacetate 3,16-Diacetyl pseudosolasodine Pseudosolasodine b, 3,16-diacetate Acetic acid [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [16-acetoxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [16-acetyloxy-10,13-dimethyl-17-[1-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1398438 |