Chem
J-GLOBAL ID:200907017955382820   Nikkaji number:J704.837H

Decanoic acid [(1aR)-1aα,1bβ,4,4a,5,7aα,7b,8,9,9aα-decahydro-4aβ,7bα-dihydroxy-3-(hydroxymethyl)-1,1,6-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen]-9β-yl ester

(1R,2S,6R,10S,11R,13R,14R)-1,6-ジヒドロキシ-8-(ヒドロキシメチル)-4,12,12-トリメチル-5-オキソテトラシクロ[8.5.0.02,6.011,13]ペンタデカ-3,8-ジエン-14-イル デカノアート
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: C29H44O6
Molecular formula furigana: C29-H44-O6
Molecular weight: 488.665
InChI: InChI=1S/C29H44O6/c1-5-6-7-8-9-10-11-12-23(31)35-21-16-28(33)20(24-25(21)27(24,3)4)14-19(17-30)15-29(34)22(28)13-18(2)26(29)32/h13-14,20-22,24-25,30,33-34H,5-12,15-17H2,1-4H3/t20-,21+,22-,24-,25+,28+,29+/m0/s1
InChI key: XFVIXZNMAIHLAI-XCUAVZNESA-N
SMILES: CCCCCCCCCC(=O)O[C@@H]1C[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(=C[C@H]2[C@H]2[C@@H]1C2(C)C)CO
Systematic name  (3):
  • デカン酸[(1aR)-1aα,1bβ,4,4a,5,7aα,7b,8,9,9aα-デカヒドロ-4aβ,7bα-ジヒドロキシ-3-(ヒドロキシメチル)-1,1,6-トリメチル-5-オキソ-1H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン]-9β-イル
  • (1R,2S,6R,10S,11R,13R,14R)-1,6-ジヒドロキシ-8-(ヒドロキシメチル)-4,12,12-トリメチル-5-オキソテトラシクロ[8.5.0.02,6.011,13]ペンタデカ-3,8-ジエン-14-イル デカノアート
  • (1R,2S,6R,10S,11R,13R,14R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12-trimethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl decanoate
Other name (1):
  • Decanoic acid [(1aR)-1aα,1bβ,4,4a,5,7aα,7b,8,9,9aα-decahydro-4aβ,7bα-dihydroxy-3-(hydroxymethyl)-1,1,6-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen]-9β-yl ester
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