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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32O9
Molecular Weight 536.5697
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, S

SHOW SMILES / InChI
Structure of GOMISIN G

SMILES

COC1=CC2=C(C(OC)=C1OC)C3=C(OC)C4=C(OCO4)C=C3[C@H](OC(=O)C5=CC=CC=C5)[C@@](C)(O)[C@@H](C)C2

InChI

InChIKey=OFDWKHIQKPKRKY-DSASHONVSA-N
InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H32O9
Molecular Weight 536.5697
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
6.55 µM [IC50]
1.02 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
6B4CV8T31X
Record Status Validated (UNII)
Record Version