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Substance Name: (+)-Epivaldivianine
RN: 98604-30-9
InChIKey: KNLTYLHJXZDNJH-UHFFFAOYSA-N

Molecular Formula

  • C37-H40-N2-O6

Molecular Weight

  • 608.731
 
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Names and Synonyms

Results Name

  • (+)-Epivaldivianine

Synonym

  • (+)-Epivaldivianine

Systematic Name

  • Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-6'-hydroxy-5'-methoxy-1'-methyl-3-(4-((1,2,3,4- tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (7'R-(7'alpha (S*),8'aalpha))-

Registry Numbers

CAS Registry Number

  • 98604-30-9

System Generated Number

  • 0098604309

Structure Descriptors

InChI

1S/C37H40N2O6/c1-38-14-11-23-17-30(42-3)31(43-4)19-26(23)27(38)16-22-6-8-25(9-7-22)45-33-21-37(13-10-29(33)40)20-28-34-24(12-15-39(28)2)18-32(44-5)36(41)35(34)37/h6-10,13,17-19,21,27-28,41H,11-12,14-16,20H2,1-5H3

InChIKey

KNLTYLHJXZDNJH-UHFFFAOYSA-N

Smiles

C1[C@@]2(C=CC(C(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@]4C)cc3)=C2)=O)c2c(c(cc3c2[C@@H]1[N@@](CC3)C)OC)O