Chem
J-GLOBAL ID：200907098989972332   Nikkaji number：J500.414D

Calanolide A

カラノリドA
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： C22H26O5
Molecular formula furigana： C22-H26-O5
Molecular weight： 370.445
InChI： InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
InChI key： NIDRYBLTWYFCFV-FMTVUPSXSA-N
SMILES： CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12
Systematic name  (4)：
  • 4-プロピル-6,6,10α,11β-テトラメチル-12α-ヒドロキシ-11,12-ジヒドロ-2H,6H,10H-ベンゾ[1,2-b:3,4-b′:5,6-b′′]トリピラン-2-オン
  • (10R)-11,12-ジヒドロ-12α-ヒドロキシ-4-プロピル-6,6,10α,11β-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
  • (10R,11S,12S)-12-ヒドロキシ-6,6,10,11-テトラメチル-4-プロピル-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
  • (10R,11S,12S)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-6,10,11,12-tetrahydro-2H-1,5,9-trioxatriphenylen-2-one
Other name (5)：
  • カラノリドA
  • Calanolide A
  • (10R)-11,12-Dihydro-12α-hydroxy-4-propyl-6,6,10α,11β-tetramethyl-2H,6H,10H-benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2-one
  • (+)-カラノリドA
  • (+)-Calanolide A
CAS registry number： 142632-32-4
KEGG COMPOUND： C09147
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