Chem
J-GLOBAL ID：200907056557621151   Nikkaji number：J16.290F

α-Bisabolol oxide A

α-ビサボロールオキシド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： C15H26O2
Molecular formula furigana： C15-H26-O2
Molecular weight： 238.371
InChI： InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChI key： WJHRAVIQWFQMKF-IPYPFGDCSA-N
SMILES： CC1=CC[C@H](CC1)[C@]1(C)CC[C@H](O)C(C)(C)O1
Systematic name  (3)：
  • (3S)-テトラヒドロ-2,2,6-トリメチル-6β-[(S)-4-メチル-3-シクロヘキセン-1-イル]-2H-ピラン-3-オール
  • (3S,6S)-2,2,6-トリメチル-6-[(1S)-4-メチルシクロヘキサ-3-エン-1-イル]オキサン-3-オール
  • (3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
Other name (5)：
  • ビサボロールオキシドA
  • α-ビサボロールオキシドA
  • Bisabolol oxide A
  • α-Bisabolol oxide A
  • (3S)-Tetrahydro-2,2,6-trimethyl-6β-[(S)-4-methyl-3-cyclohexen-1-yl]-2H-pyran-3-ol
CAS registry number： 22567-36-8
Regulation number (1)：
  • EINECS2450862
KEGG COMPOUND： C16773
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