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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H32O9
Molecular Weight 680.6981
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Diptoindonesin B, trans-

SMILES

OC1=CC=C(C=C1)[C@H]2OC3=CC=C(\C=C\C4=CC(O)=CC(O)=C4)C=C3[C@@H]2C5=C6[C@@H]([C@H](OC6=CC(O)=C5)C7=CC=C(O)C=C7)C8=CC(O)=CC(O)=C8

InChI

InChIKey=BDJSWDYSJPVUJA-DVYDPXLZSA-N
InChI=1S/C42H32O9/c43-27-8-4-24(5-9-27)41-38(26-16-31(47)19-32(48)17-26)40-35(20-33(49)21-37(40)51-41)39-34-15-22(1-2-23-13-29(45)18-30(46)14-23)3-12-36(34)50-42(39)25-6-10-28(44)11-7-25/h1-21,38-39,41-49H/b2-1+/t38-,39+,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H32O9
Molecular Weight 680.6981
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
YP28HR5FRG
Record Status Validated (UNII)
Record Version