Chem
J-GLOBAL ID：200907003521451300   Nikkaji number：J1.574.942C

Oxyphyllenodiol A

オキシフィレノジオール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： C14H22O3
Molecular formula furigana： C14-H22-O3
Molecular weight： 238.327
InChI： InChI=1S/C14H22O3/c1-8(2)9-4-5-11(15)10-6-7-14(3,17)13(16)12(9)10/h8-9,13,16-17H,4-7H2,1-3H3/t9-,13-,14+/m0/s1
InChI key： SZSSWPDHIZIMCT-QCZZGDTMSA-N
SMILES： CC(C)[C@@H]1CCC(=O)C2=C1[C@H](O)[C@](C)(O)CC2
Systematic name  (3)：
  • (4S)-4β-イソプロピル-5α,6α-ジヒドロキシ-6-メチル-1,2,3,4,5,6,7,8-オクタヒドロナフタレン-1-オン
  • (4S,5S,6R)-5,6-ジヒドロキシ-6-メチル-4-(プロパン-2-イル)-1,2,3,4,5,6,7,8-オクタヒドロナフタレン-1-オン
  • (4S,5S,6R)-5,6-dihydroxy-6-methyl-4-(propan-2-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-one
Other name (3)：
  • Oxyphyllenodiol A
  • オキシフィレノジオールA
  • (4S)-4β-Isopropyl-5α,6α-dihydroxy-6-methyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1-one
CAS registry number： 363610-30-4
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