Chem
J-GLOBAL ID：201507018608398507   Nikkaji number：J3.353.590B

CTA-091

S-フェニル-S-[(5Z,7E)-1α,3β-ジヒドロキシ-4-メチレン-19,24-ジノル-9,10-セココラ-5,7-ジエン-23-イル]スルホキシミン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C29H41NO3S
Molecular formula furigana： C29-H41-N-O3-S
Molecular weight： 483.710
InChI： InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1
InChI key： FANCTJAFZSYTIS-IQUVVAJASA-N
SMILES： C[C@H](CCS(=N)(=O)c1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (3)：
  • S-フェニル-S-[(5Z,7E)-1α,3β-ジヒドロキシ-4-メチレン-19,24-ジノル-9,10-セココラ-5,7-ジエン-23-イル]スルホキシミン
  • [(3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-ジヒドロキシ-2-メチリデンシクロヘキシリデン]エチリデン}-7a-メチル-オクタヒドロ-1H-インデン-1-イル]ブチル](イミノ)フェニル-λ6-スルファノン
  • [(3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butyl](imino)phenyl-λ6-sulfanone
Other name (2)：
  • S-Phenyl-S-[(5Z,7E)-1α,3β-dihydroxy-4-methylene-19,24-dinor-9,10-secochola-5,7-diene-23-yl]sulfoximine
  • CTA-091
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