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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34O9
Molecular Weight 550.5963
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAPPAOL B

SMILES

COC1=C2O[C@@H]([C@@H](CO)C2=CC(C[C@@H]3[C@@H](CC4=CC(OC)=C(OC)C=C4)COC3=O)=C1)C5=CC(OC)=C(O)C=C5

InChI

InChIKey=KNSPNZVXPUCWMJ-WHNHDLKRSA-N
InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H34O9
Molecular Weight 550.5963
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
E9QPE836PM
Record Status Validated (UNII)
Record Version