Chem
J-GLOBAL ID:200907051122203887   Nikkaji number:J2.182.317A

6β-Hydroxy-7-oxokaura-16-ene-19-oic acid 19,6-lactone

6β-ヒドロキシ-7-オキソカウラ-16-エン-19-酸19,6-ラクトン
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: C20H26O3
Molecular formula furigana: C20-H26-O3
Molecular weight: 314.425
InChI: InChI=1S/C20H26O3/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3)15(18)14(16(20)21)23-17(19)22/h12-15H,1,4-10H2,2-3H3/t12-,13+,14+,15+,18+,19+,20+/m1/s1
InChI key: VCCKBMBRVGBEIV-QVSNXKOUSA-N
SMILES: C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC2=O)C(=O)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2
Systematic name  (3):
  • 6β-ヒドロキシ-7-オキソカウラ-16-エン-19-酸19,6-ラクトン
  • (1S,2S,5R,8R,10S,13S,17S)-1,13-ジメチル-6-メチリデン-11-オキサペンタシクロ[8.6.1.15,8.02,8.013,17]オクタデカン-9,12-ジオン
  • (1S,2S,5R,8R,10S,13S,17S)-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-9,12-dione
Other name (1):
  • 6β-Hydroxy-7-oxokaura-16-ene-19-oic acid 19,6-lactone
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