Chem
J-GLOBAL ID：200907080499978646   Nikkaji number：J2.112.042A

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

(3aS)-2,10β-ジメチル-3aβ,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]-8-アセトキシ-9α-(フェニルアセトキシ)-7α,8α-イソプロピリデン-4,6aα,7α,8,9,10,10a,10bβ-オクタヒドロベンゾ[e]アズレン-3(3aH)-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： C39H44O11
Molecular formula furigana： C39-H44-O11
Molecular weight： 688.770
InChI： InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37+,38-,39-/m1/s1
InChI key： OGRGWTXWAZBJKF-DWBULHAPSA-N
SMILES： COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@]3(O)C2)ccc1O
Systematic name  (3)：
  • (3aS)-2,10β-ジメチル-3aβ,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]-8-アセトキシ-9α-(フェニルアセトキシ)-7α,8α-イソプロピリデン-4,6aα,7α,8,9,10,10a,10bβ-オクタヒドロベンゾ[e]アズレン-3(3aH)-オン
  • [(1S,2S,6S,10S,11R,13S,14R,15R)-13-(アセチルオキシ)-1,6-ジヒドロキシ-4,12,12,15-テトラメチル-5-オキソ-14-[(2-フェニルアセチル)オキシ]テトラシクロ[8.5.0.02,6.011,13]ペンタデカ-3,8-ジエン-8-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
  • [(1S,2S,6S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-[(2-phenylacetyl)oxy]tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Other name (1)：
  • (3aS)-2,10β-Dimethyl-3aβ,10aβ-dihydroxy-5-[[(3-methoxy-4-hydroxyphenyl)acetoxy]methyl]-8-acetoxy-9α-(phenylacetoxy)-7α,8α-isopropylidene-4,6aα,7α,8,9,10,10a,10bβ-octahydrobenzo[e]azulene-3(3aH)-one
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