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17.BETA.-(METHOXYCARBONYL)-5.ALPHA.-ANDROSTAN-3.BETA.-YL ACETATE
SpectraBase Compound ID EqC34opUZ8W
InChI InChI=1S/C23H36O4/c1-14(24)27-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)26-4)23(18,3)12-10-19(17)22/h15-20H,5-13H2,1-4H3/t15-,16-,17?,18?,19?,20+,22-,23-/m0/s1
InChIKey HZUUHCXBSGFHDC-RQLKHUHXSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5olOMQYlc3n
Name 17.BETA.-(METHOXYCARBONYL)-5.ALPHA.-ANDROSTAN-3.BETA.-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-14(24)27-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)26-4)23(18,3)12-10-19(17)22/h15-20H,5-13H2,1-4H3/t15-,16-,17?,18?,19?,20+,22-,23-/m0/s1
InChIKey HZUUHCXBSGFHDC-RQLKHUHXSA-N
Molecular Weight 376.537 g/mol
Nominal Mass 376 u
Number of Peaks 199
SMILES C(C)(=O)O[C@]1(CC[C@@]2(C3CC[C@@]4([C@](CCC4C3CC[C@]2(C1)[H])(C(=O)OC)[H])C)C)[H]
SPLASH splash10-014l-8985000000-0633dd3f9c70619a7991
Source File Reference LMCM-34254-974P
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 5.ALPHA.-ANDROSTANE-17.BETA.-CARBOXYLIC ACID-3.BETA.-OL(3.BETA.-ACETATE-17.BETA.-METHYL ESTER) (3S,5S,10S,13S,17S)-methyl 3-acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Wiley ID 4_1630