Chem
J-GLOBAL ID:200907093930265630   Nikkaji number:J623.011C

Isochamaejasmin

イソカメジャスミン
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: C30H22O10
Molecular formula furigana: C30-H22-O10
Molecular weight: 542.496
InChI: InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26+,29+,30-
InChI key: RNQBLQALVMHBKH-SQYWJIFTSA-N
SMILES: Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1
Systematic name  (3):
  • (3R,3′S)-2α,2′β-ビス(4-ヒドロキシフェニル)-5,5′,7,7′-テトラヒドロキシ-3,3′-ビ[2H-1-ベンゾピラン]-4,4′(3H,3′H)-ジオン
  • (2S,3R)-3-[(2R,3S)-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル]-5,7-ジヒドロキシ-2-(4-ヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S,3R)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3):
  • イソカメジャスミン
  • Isochamaejasmin
  • (3R,3′S)-2α,2′β-Bis(4-hydroxyphenyl)-5,5′,7,7′-tetrahydroxy-3,3′-bi[2H-1-benzopyran]-4,4′(3H,3′H)-dione
KEGG COMPOUND: C09758
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