Chem
J-GLOBAL ID：201407080570771071   Nikkaji number：J3.231.803G

Isocladosorpin

イソクラドソルピン
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： C16H20O5
Molecular formula furigana： C16-H20-O5
Molecular weight： 292.331
InChI： InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m1/s1
InChI key： WOMKDMUZNBFXKG-OASPWFOLSA-N
SMILES： C[C@@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1
Systematic name  (3)：
  • 3β-[(6β-メチルテトラヒドロ-2H-ピラン-2β-イル)メチル]-6,8-ジヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • (3R)-6,8-ジヒドロキシ-3-{[(2R,6R)-6-メチルオキサン-2-イル]メチル}-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one
Other name (3)：
  • 3β-[(6β-Methyltetrahydro-2H-pyran-2β-yl)methyl]-6,8-dihydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • イソクラドソルピン
  • Isocladosorpin
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