| SpectraBase Compound ID | IwttaJBnQAT |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13-18,22H,4-12H2,1-3H3 |
| InChIKey | NTIDOCUQWIFRTK-UHFFFAOYSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Akq8KYWGrRK |
|---|---|
| Name | Androstane-17-carboxylic acid, 3-hydroxy-, methyl ester, (3.beta.,5.beta.,17.beta.)- |
| CAS Registry Number | 10002-84-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13-18,22H,4-12H2,1-3H3 |
| InChIKey | NTIDOCUQWIFRTK-UHFFFAOYSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | OC1CCC2(C3CCC4(C(C3CCC2C1)CCC4C(=O)OC)C)C |
| SPLASH | splash10-001i-0089000000-3ad793b99bf90f0347a8 |
| Source of Spectrum | T-66-2095-0 |
| Synonyms | Androstane-17-carboxylic acid, 3-hydroxy-, methyl ester, (3.beta.,5.alpha.,17.beta.)- Methyl 3-hydroxyandrostane-17-carboxylate 3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester 5.alpha.-Androstane-17.beta.-carboxylic acid, 3.beta.-hydroxy-, methyl ester Methyl 10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate Methyl 3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 1331274 |