Chem
J-GLOBAL ID：200907005355136932   Nikkaji number：J8.611H

Sumatrol

スマトロール
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： C23H22O7
Molecular formula furigana： C23-H22-O7
Molecular weight： 410.422
InChI： InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
InChI key： ZPEHYKMRUBEPSQ-XMCHAPAWSA-N
SMILES： COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5cc(O)c4C(=O)[C@H]3c2cc1OC)C(=C)C
Systematic name  (4)：
  • (2R)-1,2,12,12aα-テトラヒドロ-5-ヒドロキシ-8,9-ジメトキシ-2-(1-メチルエテニル)[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6(6aαH)-オン
  • (2R)-1,2,12,12aα-テトラヒドロ-5-ヒドロキシ-2α-イソプロペニル-8,9-ジメトキシ[1]ベンゾピラノ[3,4-b]フロ[2,3-h][1]ベンゾピラン-6(6aαH)-オン
  • (1S,6R,13S)-10-ヒドロキシ-16,17-ジメトキシ-6-(プロパ-1-エン-2-イル)-2,7,20-トリオキサペンタシクロ[11.8.0.03,11.04,8.014,19]ヘンイコサ-3,8,10,14(19),15,17-ヘキサエン-12-オン
  • (1S,6R,13S)-10-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10,14(19),15,17-hexaen-12-one
Other name (6)：
  • スマトロール
  • Sumatrol
  • (2R)-1,2,12,12aα-Tetrahydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aαH)-one
  • (2R)-1,2,12,12aα-Tetrahydro-5-hydroxy-2α-isopropenyl-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aαH)-one
  • 11-ヒドロキシロテノン
Show all
CAS registry number： 82-10-0
KEGG COMPOUND： C10532
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