Chem
J-GLOBAL ID：200907019317086787   Nikkaji number：J152.392I

Oryzalexin A

オリザレキシンA
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： C20H30O2
Molecular formula furigana： C20-H30-O2
Molecular weight： 302.458
InChI： InChI=1S/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3/t14-,16-,17-,19-,20+/m1/s1
InChI key： QOWLIQGNZBOQNG-JECYIRHJSA-N
SMILES： CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3C(=O)C[C@H]12
Systematic name  (3)：
  • (2R)-7β-エテニル-2,3,4,4a,4bβ,5,6,7,10,10aβ-デカヒドロ-2α-ヒドロキシ-1,1,4aα,7-テトラメチル-9(1H)-フェナントレノン
  • (2R,4aR,4bS,7S,10aS)-7-エテニル-2-ヒドロキシ-1,1,4a,7-テトラメチル-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-9-オン
  • (2R,4aR,4bS,7S,10aS)-7-ethenyl-2-hydroxy-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-9-one
Other name (7)：
  • ent-3β-Hydroxy-8(14),15-isopimaradien-7-one
  • Oryzalexin A
  • オリザレキシンA
  • ent-3β-ヒドロキシ-8(14),15-イソピマラジエン-7-オン
  • (2R)-7β-Ethenyl-2,3,4,4a,4bβ,5,6,7,10,10aβ-decahydro-2α-hydroxy-1,1,4aα,7-tetramethyl-9(1H)-phenanthrenone
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CAS registry number： 85394-31-6
KEGG COMPOUND： C09148
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