Chem
J-GLOBAL ID：200907061508771540   Nikkaji number：J650.632A

Kadsurindutin H

シサンテリンQ
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： C22H22O8
Molecular formula furigana： C22-H22-O8
Molecular weight： 414.410
InChI： InChI=1S/C22H22O8/c1-9-10(2)18(24)12-6-14-20(30-8-28-14)22(26-4)16(12)15-11(17(9)23)5-13-19(21(15)25-3)29-7-27-13/h5-6,9-10,17,23H,7-8H2,1-4H3/t9-,10+,17-/m1/s1
InChI key： SEBKCRYGYKNELU-GPHJXTMHSA-N
SMILES： COc1c2OCOc2cc2[C@H](O)[C@H](C)[C@H](C)C(=O)c3cc4OCOc4c(OC)c3c12
Systematic name  (4)：
  • 1,12-ジメトキシ-5α-ヒドロキシ-6α,7α-ジメチル-5,6-ジヒドロ-2,3:10,11-ビス(メチレンジオキシ)ジベンゾ[a,c]シクロオクテン-8(7H)-オン
  • (6S,7R,8R)-6,7-ジメチル-8-ヒドロキシ-1,12-ジメトキシ-2,3:10,11-ビス(メチレンジオキシ)-5,6,7,8-テトラヒドロジベンゾ[a,c]シクロオクテン-5-オン
  • (12S,13R,14R)-14-ヒドロキシ-3,22-ジメトキシ-12,13-ジメチル-5,7,18,20-テトラオキサペンタシクロ[13.7.0.02,10.04,8.017,21]ドコサ-1(15),2,4(8),9,16,21-ヘキサエン-11-オン
  • (12S,13R,14R)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(15),2,4(8),9,16,21-hexaen-11-one
Other name (6)：
  • シサンテリンQ
  • Schisantherin Q
  • 1,12-Dimethoxy-5α-hydroxy-6α,7α-dimethyl-5,6-dihydro-2,3:10,11-bis(methylenedioxy)dibenzo[a,c]cycloocten-8(7H)-one
  • (6S,7R,8R)-6,7-Dimethyl-8-hydroxy-1,12-dimethoxy-2,3:10,11-bis(methylenedioxy)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-5-one
  • カドスリンズチンH
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