| SpectraBase Compound ID | 3RWQd41wLI2 |
|---|---|
| InChI | InChI=1S/C26H40O4/c1-16(14-24(28)29-5)21-8-9-22-20-7-6-18-15-19(30-17(2)27)10-12-25(18,3)23(20)11-13-26(21,22)4/h6,16,19-23H,7-15H2,1-5H3/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | KEVYXTGHVQCZCP-WBNKZLQISA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C26H40O4 |
| Exact Mass | 416.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SGbBTuWIva |
|---|---|
| Name | Methyl 3.beta.-Acetoxy-24-nor-5-cholen-23-oate |
| CAS Registry Number | 33168-65-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H40O4 |
| InChI | InChI=1S/C26H40O4/c1-16(14-24(28)29-5)21-8-9-22-20-7-6-18-15-19(30-17(2)27)10-12-25(18,3)23(20)11-13-26(21,22)4/h6,16,19-23H,7-15H2,1-5H3/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1 |
| InChIKey | KEVYXTGHVQCZCP-WBNKZLQISA-N |
| Molecular Weight | 416.602 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CC(=O)OC)(C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-0019000000-4deca43c11b15b7bad73 |
| Source of Spectrum | J-46-457-0 |
| Synonyms | Methyl (3R)-3-[(1S,2R,5S,10S,11S,14R,15R)-5-(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]butanoate (3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid methyl ester Methyl (3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate Methyl (3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate |
| Wiley ID | 1376546 |