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Benzenesulfonic acid, 4-methyl-, [(3.beta.,5.alpha.)-3-(benzoyloxy)androstan-7-ylidene]hydrazide
SpectraBase Compound ID 5EQORLoyeY5
InChI InChI=1S/C33H42N2O4S/c1-22-11-13-26(14-12-22)40(37,38)35-34-29-21-24-20-25(39-31(36)23-8-5-4-6-9-23)15-19-33(24,3)28-16-18-32(2)17-7-10-27(32)30(28)29/h4-6,8-9,11-14,24-25,27-28,30,35H,7,10,15-21H2,1-3H3/b34-29+/t24-,25+,27?,28?,30?,32+,33+/m1/s1
InChIKey RTMSTVLPPBIZCB-LHXUGZMHSA-N
Mol Weight 562.8 g/mol
Molecular Formula C33H42N2O4S
Exact Mass 562.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bqe6L62q9oF
Name Benzenesulfonic acid, 4-methyl-, [(3.beta.,5.alpha.)-3-(benzoyloxy)androstan-7-ylidene]hydrazide
Alternate Name(s) (3beta,5alpha)-7-{2-[(4-methylphenyl)sulfonyl]hydrazono}androstan-3-yl benzoate Androstane, benzenesulfonic acid deriv. Tosylhydrazone of 7-oxo-5.alpha.-androstan-3.beta.-yl benzoate
CAS Registry Number 84600-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N2O4S
InChI InChI=1S/C33H42N2O4S/c1-22-11-13-26(14-12-22)40(37,38)35-34-29-21-24-20-25(39-31(36)23-8-5-4-6-9-23)15-19-33(24,3)28-16-18-32(2)17-7-10-27(32)30(28)29/h4-6,8-9,11-14,24-25,27-28,30,35H,7,10,15-21H2,1-3H3/b34-29+/t24-,25+,27?,28?,30?,32+,33+/m1/s1
InChIKey RTMSTVLPPBIZCB-LHXUGZMHSA-N
Molecular Weight 562.769 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)c1ccccc1)(CC2)[H])[H])C
SPLASH splash10-0006-7093000000-5add7cedd14e1ba0f075
Source of Spectrum B-35-2126-0
Wiley ID 1406959