Chem
J-GLOBAL ID：200907062096503470   Nikkaji number：J768.798B

(3R)-4α,4aα,8aβ-Trihydroxy-5α-methoxy-4-methyl-3α-(3-methyl-2-butenyl)hexahydro-1H-2-benzopyran-6(5H)-one

(3R)-4α,4aα,8aβ-トリヒドロキシ-5α-メトキシ-4-メチル-3α-(3-メチル-2-ブテニル)ヘキサヒドロ-1H-2-ベンゾピラン-6(5H)-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： C16H26O6
Molecular formula furigana： C16-H26-O6
Molecular weight： 314.378
InChI： InChI=1S/C16H26O6/c1-10(2)5-6-12-14(3,18)16(20)13(21-4)11(17)7-8-15(16,19)9-22-12/h5,12-13,18-20H,6-9H2,1-4H3/t12-,13-,14+,15+,16+/m1/s1
InChI key： OXKJLRMBXHKNLI-OWYFMNJBSA-N
SMILES： CO[C@@H]1C(=O)CC[C@]2(O)CO[C@H](CC=C(C)C)[C@](C)(O)[C@@]12O
Systematic name  (3)：
  • (3R)-4α,4aα,8aβ-トリヒドロキシ-5α-メトキシ-4-メチル-3α-(3-メチル-2-ブテニル)ヘキサヒドロ-1H-2-ベンゾピラン-6(5H)-オン
  • (3R,4S,4aR,5S,8aS)-4,4a,8a-トリヒドロキシ-5-メトキシ-4-メチル-3-(3-メチルブタ-2-エン-1-イル)-オクタヒドロ-1H-2-ベンゾピラン-6-オン
  • (3R,4S,4aR,5S,8aS)-4,4a,8a-trihydroxy-5-methoxy-4-methyl-3-(3-methylbut-2-en-1-yl)-octahydro-1H-2-benzopyran-6-one
Other name (1)：
  • (3R)-4α,4aα,8aβ-Trihydroxy-5α-methoxy-4-methyl-3α-(3-methyl-2-butenyl)hexahydro-1H-2-benzopyran-6(5H)-one
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