Chem
J-GLOBAL ID:200907024520353875   Nikkaji number:J659.832C

(4aβ,9aβ)-1,1,4a-Trimethyl-6-pentyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-8-ol

(4aβ,9aβ)-1,1,4a-トリメチル-6-ペンチル-1,2,3,4,4a,9a-ヘキサヒドロ-9H-キサンテン-8-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: C21H32O2
Molecular formula furigana: C21-H32-O2
Molecular weight: 316.485
InChI: InChI=1S/C21H32O2/c1-5-6-7-9-15-12-17(22)16-14-19-20(2,3)10-8-11-21(19,4)23-18(16)13-15/h12-13,19,22H,5-11,14H2,1-4H3/t19-,21+/m1/s1
InChI key: KPTGTVLDBMVBEX-CTNGQTDRSA-N
SMILES: CCCCCc1cc(O)c2C[C@@H]3C(C)(C)CCC[C@]3(C)Oc2c1
Systematic name  (3):
  • (4aβ,9aβ)-1,1,4a-トリメチル-6-ペンチル-1,2,3,4,4a,9a-ヘキサヒドロ-9H-キサンテン-8-オール
  • (4aS,9aR)-1,1,4a-トリメチル-6-ペンチル-2,3,4,4a,9,9a-ヘキサヒドロ-1H-キサンテン-8-オール
  • (4aS,9aR)-1,1,4a-trimethyl-6-pentyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-8-ol
Other name (1):
  • (4aβ,9aβ)-1,1,4a-Trimethyl-6-pentyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-8-ol
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