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Benzenesulfonic acid, 4-methyl-, [(3.beta.,5.alpha.)-3-(acetyloxy)androstan-7-ylidene]hydrazide
SpectraBase Compound ID La2gFF4Ie8d
InChI InChI=1S/C28H40N2O4S/c1-18-7-9-22(10-8-18)35(32,33)30-29-25-17-20-16-21(34-19(2)31)11-15-28(20,4)24-12-14-27(3)13-5-6-23(27)26(24)25/h7-10,20-21,23-24,26,30H,5-6,11-17H2,1-4H3/b29-25+/t20-,21+,23?,24?,26?,27+,28+/m1/s1
InChIKey PAJBPBPPXWIONK-LSUJOKERSA-N
Mol Weight 500.7 g/mol
Molecular Formula C28H40N2O4S
Exact Mass 500.270879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84IdbfUzhVW
Name Benzenesulfonic acid, 4-methyl-, [(3.beta.,5.alpha.)-3-(acetyloxy)androstan-7-ylidene]hydrazide
CAS Registry Number 84600-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N2O4S
InChI InChI=1S/C28H40N2O4S/c1-18-7-9-22(10-8-18)35(32,33)30-29-25-17-20-16-21(34-19(2)31)11-15-28(20,4)24-12-14-27(3)13-5-6-23(27)26(24)25/h7-10,20-21,23-24,26,30H,5-6,11-17H2,1-4H3/b29-25+/t20-,21+,23?,24?,26?,27+,28+/m1/s1
InChIKey PAJBPBPPXWIONK-LSUJOKERSA-N
Molecular Weight 500.698 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1C2C(CC[C@]3(C2CCC3)C)[C@@]2([C@@](C1)(C[C@@](OC(=O)C)(CC2)[H])[H])C
SPLASH splash10-0007-7976000000-40069db9928786c4e5b6
Source of Spectrum B-35-2126-0
Synonyms (3beta,5alpha)-7-{2-[(4-methylphenyl)sulfonyl]hydrazono}androstan-3-yl acetate Androstane, benzenesulfonic acid deriv. Tosylhydrazone of 7-oxo-5.alpha.-androstan-3.beta.-yl acetate
Wiley ID 1398888