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Acetic acid, [(3.beta.,5.alpha.,17.alpha.)-3-(acetyloxy)-18-iodopregnan-20-ylidene][(4-methylphenyl)sulfonyl]hydrazide
SpectraBase Compound ID 5I6qJf0U6Er
InChI InChI=1S/C32H45IN2O5S/c1-20-6-9-26(10-7-20)41(38,39)35(22(3)36)34-21(2)28-12-13-30-27-11-8-24-18-25(40-23(4)37)14-16-31(24,5)29(27)15-17-32(28,30)19-33/h6-7,9-10,24-25,27-30H,8,11-19H2,1-5H3/b34-21+/t24-,25-,27+,28-,29-,30-,31-,32-/m0/s1
InChIKey WJYAKYXKOSASRO-GGXMOWCDSA-N
Mol Weight 696.7 g/mol
Molecular Formula C32H45IN2O5S
Exact Mass 696.209389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fbqh0FS9lSV
Name Acetic acid, [(3.beta.,5.alpha.,17.alpha.)-3-(acetyloxy)-18-iodopregnan-20-ylidene][(4-methylphenyl)sulfonyl]hydrazide
CAS Registry Number 69063-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45IN2O5S
InChI InChI=1S/C32H45IN2O5S/c1-20-6-9-26(10-7-20)41(38,39)35(22(3)36)34-21(2)28-12-13-30-27-11-8-24-18-25(40-23(4)37)14-16-31(24,5)29(27)15-17-32(28,30)19-33/h6-7,9-10,24-25,27-30H,8,11-19H2,1-5H3/b34-21+/t24-,25-,27+,28-,29-,30-,31-,32-/m0/s1
InChIKey WJYAKYXKOSASRO-GGXMOWCDSA-N
Molecular Weight 696.685 g/mol
SMILES [C@]1(\C(=N\N(S(c2ccc(cc2)C)(=O)=O)C(=O)C)C)([C@@]2([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])([H])CC1)CI)[H]
SPLASH splash10-0006-9030010000-95b365fa1b777a4b30f5
Source of Spectrum F-34-1535-0
Synonyms Pregnane, acetic acid deriv. (3beta,5alpha,17alpha)-20-{acetyl[(4-methylphenyl)sulfonyl]hydrazono}-18-iodopregnan-3-yl acetate Acetoxy-3.beta. iodo-18-acetyl-tosylhydrazino-20-pregnane, 5.alpha.,17.beta. H
Wiley ID 1414925