Chem
J-GLOBAL ID:200907026642805389   Nikkaji number:J1.610.782D

(9β)-3β,6β-Dihydroxypimara-7,15-diene-19-oic acid 19,6-lactone

(9β)-3β,6β-ジヒドロキシピマラ-7,15-ジエン-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: C20H28O3
Molecular formula furigana: C20-H28-O3
Molecular weight: 316.441
InChI: InChI=1S/C20H28O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-16,21H,1,6-9,11H2,2-4H3/t13-,14-,15+,16-,18-,19-,20+/m1/s1
InChI key: SPZLJXUKZRAIQP-KSYFULEYSA-N
SMILES: C[C@]12[C@@H]3[C@H](OC1=O)C=C1C[C@@](C)(CC[C@H]1[C@@]3(C)CC[C@@H]2O)C=C
Systematic name  (3):
  • (9β)-3β,6β-ジヒドロキシピマラ-7,15-ジエン-19-酸19,6-ラクトン
  • (1R,2R,5R,9R,12R,13S,16R)-5-エテニル-13-ヒドロキシ-1,5,12-トリメチル-10-オキサテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-7-エン-11-オン
  • (1R,2R,5R,9R,12R,13S,16R)-5-ethenyl-13-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-11-one
Other name (1):
  • (9β)-3β,6β-Dihydroxypimara-7,15-diene-19-oic acid 19,6-lactone
KEGG COMPOUND: C18016
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