Chem
J-GLOBAL ID：200907002860359521   Nikkaji number：J2.195.873E

2-[(1S)-1,2α,2aβ,4,6-Pentamethyl-1,2,2a,6aβ-tetrahydrobenzocyclobutene-1β-yl]-3,5-dimethyl-6-methoxy-4H-pyran-4-one

2-メトキシ-3,5-ジメチル-6-[(1S,6S,7S,8R)-1,3,5,7,8-ペンタメチルビシクロ[4.2.0]オクタ-2,4-ジエン-7-イル]-4H-ピラン-4-オン
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/c1-11-9-12(2)17-20(6,10-11)15(5)21(17,7)18-13(3)16(22)14(4)19(23-8)24-18/h9-10,15,17H,1-8H3/t15-,17+,20+,21+/m1/s1
InChI key： PVIXCVIHOGAYEN-GWKIZSTFSA-N
SMILES： COc1oc(c(C)c(=O)c1C)[C@@]1(C)[C@H](C)[C@]2(C)C=C(C)C=C(C)[C@H]12
Systematic name  (3)：
  • 2-[(1S)-1,2α,2aβ,4,6-ペンタメチル-1,2,2a,6aβ-テトラヒドロベンゾシクロブテン-1β-イル]-3,5-ジメチル-6-メトキシ-4H-ピラン-4-オン
  • 2-メトキシ-3,5-ジメチル-6-[(1S,6S,7S,8R)-1,3,5,7,8-ペンタメチルビシクロ[4.2.0]オクタ-2,4-ジエン-7-イル]-4H-ピラン-4-オン
  • 2-methoxy-3,5-dimethyl-6-[(1S,6S,7S,8R)-1,3,5,7,8-pentamethylbicyclo[4.2.0]octa-2,4-dien-7-yl]-4H-pyran-4-one
Other name (1)：
  • 2-[(1S)-1,2α,2aβ,4,6-Pentamethyl-1,2,2a,6aβ-tetrahydrobenzocyclobutene-1β-yl]-3,5-dimethyl-6-methoxy-4H-pyran-4-one
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