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(4.alpha.,5.alpha.,15S)-15-hydroxy-4-methyl-17-oxoandrostane-4-carbocylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(4.alpha.,5.alpha.,15S)-15-hydroxy-4-methyl-17-oxoandrostane-4-carbocylic acid methyl ester
SpectraBase Compound ID AvefSaZc7V
InChI InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(25)26-4)16(20)7-6-13-14(20)8-11-22(3)17(24)12-15(23)18(13)22/h13-16,18,23H,5-12H2,1-4H3/t13?,14?,15-,16+,18?,20?,21-,22?/m0/s1
InChIKey CTZFUBPGDZHNJG-KHHNGADKSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzM2wtTuVkN
Name (4.alpha.,5.alpha.,15S)-15-hydroxy-4-methyl-17-oxoandrostane-4-carbocylic acid methyl ester
Alternate Name(s) Methyl (4beta,5alpha,15alpha)-15-hydroxy-4-methyl-17-oxoandrostane-4-carboxylate
CAS Registry Number 125330-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(25)26-4)16(20)7-6-13-14(20)8-11-22(3)17(24)12-15(23)18(13)22/h13-16,18,23H,5-12H2,1-4H3/t13?,14?,15-,16+,18?,20?,21-,22?/m0/s1
InChIKey CTZFUBPGDZHNJG-KHHNGADKSA-N
Molecular Weight 362.510 g/mol
SMILES O[C@@]1(C2C3C(C4([C@]([C@](C(=O)OC)(C)CCC4)(CC3)[H])C)CCC2(C(=O)C1)C)[H]
SPLASH splash10-01pc-0609000000-77653a8e52180808db6c
Source of Spectrum J-55-2373-11
Wiley ID 1349855