Chem
J-GLOBAL ID:200907017245008791   Nikkaji number:J2.776.660I

(1R,4aα)-1β-[(3Z,6R)-3-Carboxy-6-acetoxy-6-(3-furyl)-3-hexenyl]-2,5,5,8aβ-tetramethyldecahydronaphthalene-2α-ol

(1R,4aα)-1β-[(3Z,6R)-3-カルボキシ-6-アセトキシ-6-(3-フリル)-3-ヘキセニル]-2,5,5,8aβ-テトラメチルデカヒドロナフタレン-2α-オール
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: C27H40O6
Molecular formula furigana: C27-H40-O6
Molecular weight: 460.611
InChI: InChI=1S/C27H40O6/c1-18(28)33-21(20-12-16-32-17-20)9-7-19(24(29)30)8-10-23-26(4)14-6-13-25(2,3)22(26)11-15-27(23,5)31/h7,12,16-17,21-23,31H,6,8-11,13-15H2,1-5H3,(H,29,30)/b19-7-/t21-,22+,23-,26+,27-/m1/s1
InChI key: FGSANYQVARYVSQ-CEYVXXOUSA-N
SMILES: CC(=O)O[C@H](C/C=C(/CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)\C(=O)O)c1ccoc1
Systematic name  (3):
  • (1R,4aα)-1β-[(3Z,6R)-3-カルボキシ-6-アセトキシ-6-(3-フリル)-3-ヘキセニル]-2,5,5,8aβ-テトラメチルデカヒドロナフタレン-2α-オール
  • (2Z,5R)-2-{2-[(1R,2R,4aS,8aS)-2-ヒドロキシ-2,5,5,8a-テトラメチル-デカヒドロナフタレン-1-イル]エチル}-5-(アセチルオキシ)-5-(フラン-3-イル)ペンタ-2-エン酸
  • (2Z,5R)-2-{2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl]ethyl}-5-(acetyloxy)-5-(furan-3-yl)pent-2-enoic acid
Other name (1):
  • (1R,4aα)-1β-[(3Z,6R)-3-Carboxy-6-acetoxy-6-(3-furyl)-3-hexenyl]-2,5,5,8aβ-tetramethyldecahydronaphthalene-2α-ol
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