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Details

Stereochemistry RACEMIC
Molecular Formula C42H32O9
Molecular Weight 680.6981
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUFFRUTICOSOL A

SMILES

[H][C@@]1(OC2=C3C4=C(C(O)=C2)[C@@]([H])(C5=CC(O)=CC(O)=C5)[C@]([H])(C6=CC=C(O)C=C6)[C@]4([H])[C@]([H])(C7=CC=C(O)C=C7)C8=C(O)C=C(O)C=C8[C@@]13[H])C9=CC=C(O)C=C9

InChI

InChIKey=MBGBQHRAJPLAPN-SMIUPXLJSA-N
InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40+,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 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7G9XJ6XBC2
Record Status Validated (UNII)
Record Version