Chem
J-GLOBAL ID：200907091468863567   Nikkaji number：J608.305F

4,5,6,6aα,7,8,9,10,10a,10bβ-Decahydro-3aα,4α,7β,8β,9α,10aβ-hexahydroxy-5-(hydroxymethyl)-2,10β-dimethyl-8-(1-methylethenyl)-5β,6β-epoxybenz[e]azulen-3(3aH)-one

4,5,6,6aα,7,8,9,10,10a,10bβ-デカヒドロ-3aα,4α,7β,8β,9α,10aβ-ヘキサヒドロキシ-5-(ヒドロキシメチル)-2,10β-ジメチル-8-(1-メチルエテニル)-5β,6β-エポキシベンゾ[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： C20H28O9
Molecular formula furigana： C20-H28-O9
Molecular weight： 412.435
InChI： InChI=1S/C20H28O9/c1-7(2)18(26)13(23)9(4)19(27)10-5-8(3)12(22)20(10,28)16(25)17(6-21)15(29-17)11(19)14(18)24/h5,9-11,13-16,21,23-28H,1,6H2,2-4H3/t9-,10+,11-,13-,14-,15+,16-,17+,18+,19+,20-/m1/s1
InChI key： QZWWOYAQLPMPFG-YKBITRMJSA-N
SMILES： C[C@@H]1[C@@H](O)[C@](O)([C@H](O)[C@@H]2[C@@H]3O[C@]3(CO)[C@@H](O)[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12O)C(=C)C
Systematic name  (3)：
  • 4,5,6,6aα,7,8,9,10,10a,10bβ-デカヒドロ-3aα,4α,7β,8β,9α,10aβ-ヘキサヒドロキシ-5-(ヒドロキシメチル)-2,10β-ジメチル-8-(1-メチルエテニル)-5β,6β-エポキシベンゾ[e]アズレン-3(3aH)-オン
  • (1R,2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-5,6,11,13,14,15-ヘキサヒドロキシ-4-(ヒドロキシメチル)-8,12-ジメチル-14-(プロパ-1-エン-2-イル)-3-オキサテトラシクロ[9.4.0.02,4.06,10]ペンタデカ-8-エン-7-オン
  • (1R,2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-5,6,11,13,14,15-hexahydroxy-4-(hydroxymethyl)-8,12-dimethyl-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-7-one
Other name (1)：
  • 4,5,6,6aα,7,8,9,10,10a,10bβ-Decahydro-3aα,4α,7β,8β,9α,10aβ-hexahydroxy-5-(hydroxymethyl)-2,10β-dimethyl-8-(1-methylethenyl)-5β,6β-epoxybenz[e]azulen-3(3aH)-one
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