Chem
J-GLOBAL ID:200907052651659396   Nikkaji number:J11.089B

Austrobailignan 1

アウストロバイリグナン1
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: C21H18O7
Molecular formula furigana: C21-H18-O7
Molecular weight: 382.368
InChI: InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1
InChI key: GROYKMASYUMFER-RQUSPXKASA-N
SMILES: COc1cc(cc2OCOc12)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
Systematic name  (3):
  • (5R,5aα)-5,8,8aβ,9-テトラヒドロ-5-(7-メトキシ-1,3-ベンゾジオキソール-5-イル)フロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aH)-オン
  • (10R,11R,15R)-10-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10R,11R,15R)-10-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (3):
  • アウストロバイリグナン1
  • Austrobailignan 1
  • (5R,5aα)-5,8,8aβ,9-Tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
CAS registry number: 55955-07-2
KEGG COMPOUND: C10546
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