Chem
J-GLOBAL ID：200907023411852440   Nikkaji number：J676.929B

Puupehenone

プウペヘノン
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： C21H28O3
Molecular formula furigana： C21-H28-O3
Molecular weight： 328.452
InChI： InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17-18,22H,5-9H2,1-4H3/t17-,18+,20-,21-/m0/s1
InChI key： LOCMLXSTDCXZFJ-YHELAOLJSA-N
SMILES： CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=CC3=C[C@H]21)O
Systematic name  (5)：
  • 1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-10-ヒドロキシ-4,4,6aβ,12bα-テトラメチル-9H-ベンゾ[a]キサンテン-9-オン
  • (4aS)-10-ヒドロキシ-4,4,6aβ,12bα-テトラメチル-1,2,3,4,4aβ,5,6,6a,12aβ,12b-デカヒドロ-9H-ベンゾ[a]キサンテン-9-オン
  • (4aS)-4,4,6aβ,12bα-テトラメチル-10-ヒドロキシ-2,3,4,4aβ,5,6,6a,9,12aβ,12b-デカヒドロ-1H-ベンゾ[a]キサンテン-9-オン
  • (5aS,7aS,11aS,11bR)-2-ヒドロキシ-5a,8,8,11a-テトラメチル-5a,6,7,7a,8,9,10,11,11a,11b-デカヒドロ-3H-5-オキサテトラフェン-3-オン
  • (5aS,7aS,11aS,11bR)-2-hydroxy-5a,8,8,11a-tetramethyl-5a,6,7,7a,8,9,10,11,11a,11b-decahydro-3H-5-oxatetraphen-3-one
Other name (8)：
  • 1,2,3,4,4aβ,5,6,6a,12aβ,12b-Decahydro-10-hydroxy-4,4,6aβ,12bα-tetramethyl-9H-benzo[a]xanthen-9-one
  • プウペヘノン
  • (4aS)-1,2,3,4,4aβ,5,6,6a,12aβ,12b-Decahydro-10-hydroxy-4,4,6aβ,12bα-tetramethyl-9H-benzo[a]xanthen-9-one
  • Puupehenone
  • (+)-プウペヘノン
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CAS registry number： 73573-17-8
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