Chem
J-GLOBAL ID：200907009443635022   Nikkaji number：J650.631C

Schisantherin P

シサンテリンP
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： C22H24O8
Molecular formula furigana： C22-H24-O8
Molecular weight： 416.426
InChI： InChI=1S/C22H24O8/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/h5-6,9-10,17-18,23-24H,7-8H2,1-4H3/t9-,10+,17-,18+
InChI key： PGQCSEUUYHHWGA-MOGXELDJSA-N
SMILES： COc1c2OCOc2cc2[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3c12
Systematic name  (3)：
  • 1,12-ジメトキシ-6α,7α-ジメチル-5,6,7,8-テトラヒドロ-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-5α,8α-ジオール
  • (11R,12R,13S,14S)-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-11,14-ジオール
  • (11R,12R,13S,14S)-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-hexaene-11,14-diol
Other name (3)：
  • シサンテリンP
  • Schisantherin P
  • 1,12-Dimethoxy-6α,7α-dimethyl-5,6,7,8-tetrahydro-2,3:10,11-bis(methylenedioxy)dibenzo[a,c]cyclooctene-5α,8α-diol
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