Chem
J-GLOBAL ID:200907009228617510   Nikkaji number:J2.112.038C

(3aR)-2,10β-Dimethyl-3aα,10aβ-dihydroxy-5-[[(3-methoxy-4-hydroxyphenyl)acetoxy]methyl]-9β-(phenylacetoxy)-7α,9α-isopropylidene-4,6aα,9,10,10a,10bβ-hexahydrobenzo[e]azulene-3,8(3aH,7H)-dione

(3aR)-2,10β-ジメチル-3aα,10aβ-ジヒドロキシ-5-[[(3-メトキシ-4-ヒドロキシフェニル)アセトキシ]メチル]-9β-(フェニルアセトキシ)-7α,9α-イソプロピリデン-4,6aα,9,10,10a,10bβ-ヘキサヒドロベンゾ[e]アズレン-3,8(3aH,7H)-ジオン
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: C37H40O10
Molecular formula furigana: C37-H40-O10
Molecular weight: 644.717
InChI: InChI=1S/C37H40O10/c1-20-13-28-35(43,32(20)41)18-24(19-46-29(39)17-23-11-12-26(38)27(15-23)45-5)14-25-31-33(42)37(34(31,3)4,21(2)36(25,28)44)47-30(40)16-22-9-7-6-8-10-22/h6-15,21,25,28,31,38,43-44H,16-19H2,1-5H3/t21-,25-,28+,31-,35+,36+,37-/m0/s1
InChI key: MJIZNQGHIICDCT-WHVVKTOFSA-N
SMILES: COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4C(=O)[C@@](OC(=O)Cc5ccccc5)([C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C4(C)C)ccc1O
Systematic name  (3):
  • (3aR)-2,10β-ジメチル-3aα,10aβ-ジヒドロキシ-5-[[(3-メトキシ-4-ヒドロキシフェニル)アセトキシ]メチル]-9β-(フェニルアセトキシ)-7α,9α-イソプロピリデン-4,6aα,9,10,10a,10bβ-ヘキサヒドロベンゾ[e]アズレン-3,8(3aH,7H)-ジオン
  • [(1R,2S,6R,10S,11S,12S,13R)-6,11-ジヒドロキシ-8,12,14,14-テトラメチル-7,15-ジオキソ-13-[(2-フェニルアセチル)オキシ]テトラシクロ[11.1.1.02,11.06,10]ペンタデカ-3,8-ジエン-4-イル]メチル 2-(4-ヒドロキシ-3-メトキシフェニル)アセタート
  • [(1R,2S,6R,10S,11S,12S,13R)-6,11-dihydroxy-8,12,14,14-tetramethyl-7,15-dioxo-13-[(2-phenylacetyl)oxy]tetracyclo[11.1.1.02,11.06,10]pentadeca-3,8-dien-4-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Other name (1):
  • (3aR)-2,10β-Dimethyl-3aα,10aβ-dihydroxy-5-[[(3-methoxy-4-hydroxyphenyl)acetoxy]methyl]-9β-(phenylacetoxy)-7α,9α-isopropylidene-4,6aα,9,10,10a,10bβ-hexahydrobenzo[e]azulene-3,8(3aH,7H)-dione
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