Chem
J-GLOBAL ID:200907027319032938   Nikkaji number:J1.524.472K

2α-[(S)-1-Hydroxyheptyl]-4β,8α-dihydroxy-3,4,7,8-tetrahydro-2H-1-benzopyran-5(6H)-one

2α-[(S)-1-ヒドロキシヘプチル]-4β,8α-ジヒドロキシ-3,4,7,8-テトラヒドロ-2H-1-ベンゾピラン-5(6H)-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: C16H26O5
Molecular formula furigana: C16-H26-O5
Molecular weight: 298.379
InChI: InChI=1S/C16H26O5/c1-2-3-4-5-6-10(17)14-9-13(20)15-11(18)7-8-12(19)16(15)21-14/h10,12-14,17,19-20H,2-9H2,1H3/t10-,12-,13+,14-/m0/s1
InChI key: YSFPWLQJKYZZEG-DEQVHRJGSA-N
SMILES: CCCCCC[C@H](O)[C@@H]1C[C@@H](O)C2=C(O1)[C@@H](O)CCC2=O
Systematic name  (3):
  • 2α-[(S)-1-ヒドロキシヘプチル]-4β,8α-ジヒドロキシ-3,4,7,8-テトラヒドロ-2H-1-ベンゾピラン-5(6H)-オン
  • (2S,4R,8S)-4,8-ジヒドロキシ-2-[(1S)-1-ヒドロキシヘプチル]-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
  • (2S,4R,8S)-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Other name (1):
  • 2α-[(S)-1-Hydroxyheptyl]-4β,8α-dihydroxy-3,4,7,8-tetrahydro-2H-1-benzopyran-5(6H)-one
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