U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H38N2O6
Molecular Weight 594.6967
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAPHNANDRINE

SMILES

COC1=CC2=C3C=C1OC4=C5[C@H](CC6=CC=C(OC7=C(OC)C=CC(C[C@H]3NCC2)=C7)C=C6)N(C)CCC5=CC(OC)=C4O

InChI

InChIKey=REKCBEFSIKOPTD-IZLXSDGUSA-N
InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H38N2O6
Molecular Weight 594.6967
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
P9909Y937X
Record Status Validated (UNII)
Record Version