Austrobailignan 1

(5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Also Known As: Austrobailignan 1|Austrobailignan-1|Austrobai-lignan-1|NCI60_002451|AUSTROBAILIGNAN-1 (B809654K048)|B809654K048|(5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one|Furo[3',4'_6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,|(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|(5R,5aalpha)-5,8,8abeta,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|(5R,5aR,8aR)-5,8,8a,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|(5R,5aR,8aR)-5,8,8a,9-Tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)furo[3a(2),4a(2):6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one|(5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-(2)benzofuro(5,6-f)(1,3)benzodioxol-6-one|(5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one|Furo[3',4'_6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-, [5R-(5.|A.,5a.|A.,8a.|A.)]-|Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-

Molecular Formula	C21H18O7
Molecular Weight	382.10526 g/mol
LogP	3.2
Topological Polar Surface Area	72.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	382.10526
Monoisotopic Mass	382.10526
Heavy Atoms	28
Complexity	626.0

Chemical Identifiers

CAS Number	55955-07-2
SMILES	COC1=CC(=CC2=C1OCO2)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O
InChIKey	GROYKMASYUMFER-RQUSPXKASA-N