Chem
J-GLOBAL ID：200907084175074197   Nikkaji number：J16.609J

Chasmanthin

カスマンチン
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： C20H22O7
Molecular formula furigana： C20-H22-O7
Molecular weight： 374.389
InChI： InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11+,12+,13-,14-,15-,18+,19+,20-/m0/s1
InChI key： TXOMRNMZLZXJQP-OQDMGONLSA-N
SMILES： C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1
Systematic name  (3)：
  • (2R,4aβ,7aα,8aα,9aα)-ドデカヒドロ-2α-(3-フリル)-7α-ヒドロキシ-6aα,9bβ-ジメチル-9β,7-(エポキシメタノ)-4H-オキシレノ[6,7]ナフト[2,1-c]ピラン-4,11-ジオン
  • (1S,2S,3S,5R,8R,11R,12S,13S,15S)-5-(フラン-3-イル)-12-ヒドロキシ-3,11-ジメチル-6,14,16-トリオキサペンタシクロ[10.3.2.02,11.03,8.013,15]ヘプタデカン-7,17-ジオン
  • (1S,2S,3S,5R,8R,11R,12S,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
Other name (3)：
  • カスマンチン
  • Chasmanthin
  • (2R,4aβ,7aα,8aα,9aα)-Dodecahydro-2α-(3-furyl)-7α-hydroxy-6aα,9bβ-dimethyl-9β,7-(epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione
CAS registry number： 20379-19-5
KEGG COMPOUND： C09073
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