Chem
J-GLOBAL ID：200907015738854834   Nikkaji number：J608.304H

4,5,6,6aα,7,8,9,10,10a,10bβ-Decahydro-3aα,4α,7β,8β,10aβ-pentahydroxy-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,10aβ-ペンタヒドロキシ-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： C20H28O8
Molecular formula furigana： C20-H28-O8
Molecular weight： 396.436
InChI： InChI=1S/C20H28O8/c1-8(2)17(25)6-10(4)19(26)11-5-9(3)13(22)20(11,27)16(24)18(7-21)15(28-18)12(19)14(17)23/h5,10-12,14-16,21,23-27H,1,6-7H2,2-4H3/t10-,11+,12-,14-,15+,16-,17-,18+,19+,20-/m1/s1
InChI key： IPQLVEDRXHFSTR-YNRHICFFSA-N
SMILES： C[C@@H]1C[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,10aβ-ペンタヒドロキシ-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,14R,15R)-5,6,11,14,15-ペンタヒドロキシ-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,14R,15R)-5,6,11,14,15-pentahydroxy-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,10aβ-pentahydroxy-5-(hydroxymethyl)-2,10β-dimethyl-8-(1-methylethenyl)-5β,6β-epoxybenz[e]azulen-3(3aH)-one
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