Chem
J-GLOBAL ID：200907006095596582   Nikkaji number：J628.300D

Dihydrobotrydial

ジヒドロボトリジアール
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： C17H28O5
Molecular formula furigana： C17-H28-O5
Molecular weight： 312.406
InChI： InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14+,16-,17-/m1/s1
InChI key： QUGYVDURDBEQRB-CJNHKLDISA-N
SMILES： C[C@@H]1C[C@H](OC(=O)C)[C@H]2C(C)(C)C[C@]3(C)CO[C@H](O)[C@@H]1[C@@]23O
Systematic name  (3)：
  • (1S,5aβ,8aβ)-デカヒドロ-3aα,5,5,8β-テトラメチル-6β-アセトキシ-8bH-シクロペンタ[de]-2-ベンゾピラン-1β,8bβ-ジオール
  • (1R,4R,7S,8S,9R,11S,12S)-7,12-ジヒドロキシ-2,2,4,9-テトラメチル-6-オキサトリシクロ[6.3.1.04,12]ドデカン-11-イル アセタート
  • (1R,4R,7S,8S,9R,11S,12S)-7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl acetate
Other name (3)：
  • ジヒドロボトリジアール
  • Dihydrobotrydial
  • (1S,5aβ,8aβ)-Decahydro-3aα,5,5,8β-tetramethyl-6β-acetoxy-8bH-cyclopenta[de]-2-benzopyran-1β,8bβ-diol
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