Chem
J-GLOBAL ID：200907017717744039   Nikkaji number：J10.750F

Isosamidin

イソサミジン
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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI： InChI=1S/C21H22O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
InChI key： VPDWBGHNQKUFNN-WOJBJXKFSA-N
SMILES： CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2c(OC1(C)C)ccc1ccc(=O)oc21
Systematic name  (3)：
  • 3-メチル-2-ブテン酸9α-(アセチルオキシ)-9,10-ジヒドロ-8,8-ジメチル-2-オキソ-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-10α-イル
  • (9R,10R)-9-(アセチルオキシ)-8,8-ジメチル-2-オキソ-2H,8H,9H,10H-ピラノ[2,3-h]クロメン-10-イル 3-メチルブタ-2-エノアート
  • (9R,10R)-9-(acetyloxy)-8,8-dimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl 3-methylbut-2-enoate
Other name (3)：
  • イソサミジン
  • Isosamidin
  • 3-Methyl-2-butenoic acid 9α-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10α-yl ester
CAS registry number： 53023-18-0
KEGG COMPOUND： C09270
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