Chem
J-GLOBAL ID:200907052651659396
Nikkaji number:J11.089B
Austrobailignan 1
アウストロバイリグナン1
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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:
C21 H18 O7
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
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