U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32O9
Molecular Weight 536.5697
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAPPAOL A

SMILES

COC1=CC(C[C@H]2COC(=O)[C@@H]2CC3=CC(OC)=C(O)C=C3)=CC4=C1O[C@@H]([C@H]4CO)C5=CC(OC)=C(O)C=C5

InChI

InChIKey=PYLYQTVVQXPBIJ-OUZJQUPYSA-N
InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LAPPAOL A
Common Name English
2(3H)-FURANONE, 4-((2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (2S-(2.ALPHA.,3.BETA.,5(3S*,4S*)))-
Common Name English
2(3H)-FURANONE, 4-(((2S,3R)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3R,4R)-
Systematic Name English
NSC-287066
Code English
Code System Code Type Description
EPA CompTox
DTXSID20977886
Created by admin on Fri Dec 15 21:50:23 GMT 2023 , Edited by admin on Fri Dec 15 21:50:23 GMT 2023
PRIMARY
CAS
62333-08-8
Created by admin on Fri Dec 15 21:50:23 GMT 2023 , Edited by admin on Fri Dec 15 21:50:23 GMT 2023
PRIMARY
PUBCHEM
46173976
Created by admin on Fri Dec 15 21:50:23 GMT 2023 , Edited by admin on Fri Dec 15 21:50:23 GMT 2023
PRIMARY
NSC
287066
Created by admin on Fri Dec 15 21:50:23 GMT 2023 , Edited by admin on Fri Dec 15 21:50:23 GMT 2023
PRIMARY
FDA UNII
YU544603T7
Created by admin on Fri Dec 15 21:50:23 GMT 2023 , Edited by admin on Fri Dec 15 21:50:23 GMT 2023
PRIMARY