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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H38N2O8
Molecular Weight 638.7062
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Secantioquine

SMILES

COC1=C(O)C(OC2=C(OC)C=C3CCN(C)C(=O)C3=C2)=C4[C@H](CC5=CC(=C(OC)C=C5)C6=C(O)C=CC(C=O)=C6)N(C)CCC4=C1

InChI

InChIKey=ZOBAYWQPWZMJPP-NDEPHWFRSA-N
InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H38N2O8
Molecular Weight 638.7062
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
H4K7MLE67A
Record Status Validated (UNII)
Record Version