Chem
J-GLOBAL ID：200907086883373970   Nikkaji number：J880.119C

(3aS,9S)-1,1-Dimethyl-4-hydroxy-9-methoxy-9-(methylthiomethyl)-1,3aβ,8,8aβ-tetrahydro-4β,8β-methanoazulen-5(4H)-one

(3aS,9S)-1,1-ジメチル-4-ヒドロキシ-9-メトキシ-9-(メチルチオメチル)-1,3aβ,8,8aβ-テトラヒドロ-4β,8β-メタノアズレン-5(4H)-オン
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： C16H22O3S
Molecular formula furigana： C16-H22-O3-S
Molecular weight： 294.410
InChI： InChI=1S/C16H22O3S/c1-14(2)8-7-11-13(14)10-5-6-12(17)16(11,18)15(10,19-3)9-20-4/h5-8,10-11,13,18H,9H2,1-4H3/t10-,11+,13+,15+,16+/m1/s1
InChI key： DTMMDSXIGLTXSI-AYCUNASISA-N
SMILES： CO[C@@]1(CSC)[C@@H]2C=CC(=O)[C@@]1(O)[C@H]1C=CC(C)(C)[C@@H]21
Systematic name  (3)：
  • (3aS,9S)-1,1-ジメチル-4-ヒドロキシ-9-メトキシ-9-(メチルチオメチル)-1,3aβ,8,8aβ-テトラヒドロ-4β,8β-メタノアズレン-5(4H)-オン
  • (1R,2R,6S,7R,11S)-7-ヒドロキシ-11-メトキシ-3,3-ジメチル-11-[(メチルスルファニル)メチル]トリシクロ[5.3.1.02,6]ウンデカ-4,9-ジエン-8-オン
  • (1R,2R,6S,7R,11S)-7-hydroxy-11-methoxy-3,3-dimethyl-11-[(methylsulfanyl)methyl]tricyclo[5.3.1.02,6]undeca-4,9-dien-8-one
Other name (1)：
  • (3aS,9S)-1,1-Dimethyl-4-hydroxy-9-methoxy-9-(methylthiomethyl)-1,3aβ,8,8aβ-tetrahydro-4β,8β-methanoazulen-5(4H)-one
Thsaurus map：
Thesaurus Map

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