Chem
J-GLOBAL ID：201707001430153225   Nikkaji number：J3.640.258J

13-Hydroxyglyceollin II

13-ヒドロキシグリセオリンII
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： C20H18O6
Molecular formula furigana： C20-H18-O6
Molecular weight： 354.358
InChI： InChI=1S/C20H18O6/c1-19(2)17(22)6-10-5-12-15(8-14(10)26-19)24-9-20(23)13-4-3-11(21)7-16(13)25-18(12)20/h3-8,18,21-23H,9H2,1-2H3/t18-,20+/m0/s1
InChI key： CDQAAQQZVUTDTI-AZUAARDMSA-N
SMILES： CC1(C)Oc2cc3OC[C@]4(O)[C@@H](Oc5cc(O)ccc45)c3cc2C=C1O
Systematic name  (3)：
  • 3,3-ジメチル-7a,12aα-ジヒドロ-3H,7H-ベンゾフロ[3,2-c]ピラノ[3,2-g][1]ベンゾピラン-2,7aα,10-トリオール
  • (2S,10S)-17,17-ジメチル-3,12,16-トリオキサペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-1(13),4,6,8,14,18,20-ヘプタエン-6,10,18-トリオール
  • (2S,10S)-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,14,18,20-heptaene-6,10,18-triol
Other name (3)：
  • 3,3-Dimethyl-7a,12aα-dihydro-3H,7H-benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran-2,7aα,10-triol
  • 13-ヒドロキシグリセオリンII
  • 13-Hydroxyglyceollin II
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