Chem
J-GLOBAL ID：200907012325838114   Nikkaji number：J782.936A

3β,13α-Dihydroxy-19-oxo-10,19-epoxy-20-nor-ent-gibberella-1,16-dien-7-oic acid

3β,13α-ジヒドロキシ-19-オキソ-10,19-エポキシ-20-ノル-ent-ジベレラ-1,16-ジエン-7-酸
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： C19H22O6
Molecular formula furigana： C19-H22-O6
Molecular weight： 346.379
InChI： InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16+,17+,18+,19-/m1/s1
InChI key： IXORZMNAPKEEDV-SNTJWBGVSA-N
SMILES： C[C@]12[C@H]3[C@H](C(=O)O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
Systematic name  (3)：
  • 3β,13α-ジヒドロキシ-19-オキソ-10,19-エポキシ-20-ノル-ent-ジベレラ-1,16-ジエン-7-酸
  • (1R,2R,5S,8S,9S,10R,11R,12S)-5,12-ジヒドロキシ-11-メチル-6-メチリデン-16-オキソ-15-オキサペンタシクロ[9.3.2.15,8.01,10.02,8]ヘプタデカ-13-エン-9-カルボン酸
  • (1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Other name (1)：
  • 3β,13α-Dihydroxy-19-oxo-10,19-epoxy-20-nor-ent-gibberella-1,16-dien-7-oic acid
Thsaurus map：
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