Chem
J-GLOBAL ID:200907049242191578   Nikkaji number:J790.894F

12-Thiocalanolide B

12-チオカラノリドB
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: C22H26O4S
Molecular formula furigana: C22-H26-O4-S
Molecular weight: 386.510
InChI: InChI=1S/C22H26O4S/c1-6-7-13-10-15(23)25-20-16(13)19-14(8-9-22(4,5)26-19)18-17(20)21(27)11(2)12(3)24-18/h8-12,21,27H,6-7H2,1-5H3/t11-,12-,21-/m0/s1
InChI key: JLDHRKWONIFCQR-OABGYEMISA-N
SMILES: CCCc1cc(=O)oc2c3[C@@H](S)[C@@H](C)[C@H](C)Oc3c3C=CC(C)(C)Oc3c12
Systematic name  (3):
  • (10S)-11,12-ジヒドロ-4-プロピル-12α-メルカプト-6,6,10β,11α-テトラメチル-2H,6H,10H-ベンゾ[1,2-b:3,4-b′:5,6-b′′]トリピラン-2-オン
  • (10S,11S,12S)-6,6,10,11-テトラメチル-4-プロピル-12-スルファニル-6,10,11,12-テトラヒドロ-2H-1,5,9-トリオキサトリフェニレン-2-オン
  • (10S,11S,12S)-6,6,10,11-tetramethyl-4-propyl-12-sulfanyl-6,10,11,12-tetrahydro-2H-1,5,9-trioxatriphenylen-2-one
Other name (3):
  • 12-チオカラノリドB
  • 12-Thiocalanolide B
  • (10S)-11,12-Dihydro-4-propyl-12α-mercapto-6,6,10β,11α-tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2-one
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