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Androstane-17-carboxylic acid, 3-hydroxy-, methyl ester, (3.beta.,5.beta.,17.beta.)-
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YEvyIcGNFb
Name 5.ALPHA.-ANDROSTANE-17.BETA.-CARBOXYLIC ACID-3.BETA.-OL(17.BETA.-METHYL ESTER)
Alternate Name(s) METHYL 3-HYDROXYANDROSTANE-17-CARBOXYLATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Nominal Mass 334 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCC4CC(O)CCC34C)C2CCC1C(OC)=O
SPLASH splash10-00lr-9654000000-25f95e0c75752484afe4
Source File Reference LMCM-23755-461N
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK