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 |