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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H50O12
Molecular Weight 638.7429
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VB-309

SMILES

CCCCCC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)=C4[C@@H]5C=C(C)CC[C@H]5C(C)(C)OC4=C1

InChI

InChIKey=XHNYCXIHZPYCRT-VSAHRBKJSA-N
InChI=1S/C33H50O12/c1-5-6-7-8-17-12-20(24-18-11-16(2)9-10-19(18)33(3,4)45-21(24)13-17)41-31-29(40)27(38)30(23(15-35)43-31)44-32-28(39)26(37)25(36)22(14-34)42-32/h11-13,18-19,22-23,25-32,34-40H,5-10,14-15H2,1-4H3/t18-,19-,22-,23-,25-,26+,27-,28-,29-,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H50O12
Molecular Weight 638.7429
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
GMN7ZX2D3A
Record Status Validated (UNII)
Record Version