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ANDROST-5-ENE-3.BETA.,17.BETA.,18-TRIOL-16-ONE(3.BETA.,17.BETA.,18-TRI-ACETATE)
SpectraBase Compound ID 3LR6kceuOZE
InChI InChI=1S/C25H34O7/c1-14(26)30-13-25-10-8-20-19(21(25)12-22(29)23(25)32-16(3)28)6-5-17-11-18(31-15(2)27)7-9-24(17,20)4/h5,18-21,23H,6-13H2,1-4H3
InChIKey FVHJMNAMYYBUPN-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bo53Ixs6yHf
Name ANDROST-5-ENE-3.BETA.,17.BETA.,18-TRIOL-16-ONE(3.BETA.,17.BETA.,18-TRI-ACETATE)
Alternate Name(s) 17,18-BIS(ACETYLOXY)-16-OXOANDROST-5-EN-3-YL ACETATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-14(26)30-13-25-10-8-20-19(21(25)12-22(29)23(25)32-16(3)28)6-5-17-11-18(31-15(2)27)7-9-24(17,20)4/h5,18-21,23H,6-13H2,1-4H3
InChIKey FVHJMNAMYYBUPN-UHFFFAOYSA-N
Nominal Mass 446 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(COC(C)=O)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C2CC(=O)C1OC(C)=O
SPLASH splash10-0f79-3479000000-12815a07b1123f3ed0bc
Source File Reference LMCM-24070-770Z
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK