| SpectraBase Compound ID | 1MzOZgpYZNq |
|---|---|
| InChI | InChI=1S/C26H33NO3/c1-25-16-14-21-19(10-13-23(28)27-17-7-6-15-26(21,27)2)20(25)11-12-22(25)30-24(29)18-8-4-3-5-9-18/h3-5,7-9,17,19-22H,6,10-16H2,1-2H3/t19-,20-,21-,22-,25-,26+/m0/s1 |
| InChIKey | DIDKEOMTTZAVKE-IRMULARKSA-N |
| Mol Weight | 407.6 g/mol |
| Molecular Formula | C26H33NO3 |
| Exact Mass | 407.246044 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8kURTP5NtQJ |
|---|---|
| Name | 17.beta.-hydroxy-5-aza-B-homoandrost-3-en-6-one Benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H33NO3 |
| InChI | InChI=1S/C26H33NO3/c1-25-16-14-21-19(10-13-23(28)27-17-7-6-15-26(21,27)2)20(25)11-12-22(25)30-24(29)18-8-4-3-5-9-18/h3-5,7-9,17,19-22H,6,10-16H2,1-2H3/t19-,20-,21-,22-,25-,26+/m0/s1 |
| InChIKey | DIDKEOMTTZAVKE-IRMULARKSA-N |
| Molecular Weight | 407.554 g/mol |
| SMILES | [C@]12(N(C(CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])(OC(=O)c2ccccc2)[H])C)[H])[H])=O)C=CCC1)C |
| SPLASH | splash10-0a4j-9700600000-51cc64f942344d22e9f8 |
| Source of Spectrum | J-57-4120-25 |
| Synonyms | (1S,3aS,3bS,11aR,11bS,13aS)-11a,13a-dimethyl-6-oxo-2,3,3a,3b,4,5,6,10,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[5,4-c]pyrido[1,2-a]azepin-1-yl benzoate Benzacid(1S,3aS,3bS,10aR,10bS,12aS)-10a,12a-dimethyl-6-oxo-2,3,3a,3b,4,5,6,9,10,10a,10b,11,12,12a-tetradecahydro-1H-6a-aza-benzo[3,4]cyclohepta[1,2-e]inden-1-yl ester |
| Wiley ID | 1372649 |