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

Details

Stereochemistry UNKNOWN
Molecular Formula C40H44O13
Molecular Weight 732.7696
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTIGNAN D

SMILES

[H][C@]3(CC1=CC(C(CO)C(O)C2=CC(OC)=C(O)C=C2)=C(O)C(OC)=C1)COC(=O)[C@]3([H])CC4=CC5=C(O[C@@H]([C@H]5CO)C6=CC=C(O)C(OC)=C6)C(OC)=C4

InChI

InChIKey=YUHXLTKARLJXBV-FGEPHIOBSA-N
InChI=1S/C40H44O13/c1-48-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-20(13-34(50-3)37(26)46)9-24-19-52-40(47)25(24)10-21-12-27-29(18-42)38(53-39(27)35(14-21)51-4)23-6-8-31(44)33(16-23)49-2/h5-8,11-16,24-25,28-29,36,38,41-46H,9-10,17-19H2,1-4H3/t24-,25+,28?,29-,36?,38+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ARCTIGNAN D
Common Name English
2(3H)-FURANONE, 3-((2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-4-((4-HYDROXY-3-(2-HYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-1-(HYDROXYMETHYL)ETHYL)-5-METHOXYPHENYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
Q85JI2VL1N
Created by admin on Sat Dec 16 11:00:40 GMT 2023 , Edited by admin on Sat Dec 16 11:00:40 GMT 2023
PRIMARY
PUBCHEM
73425493
Created by admin on Sat Dec 16 11:00:40 GMT 2023 , Edited by admin on Sat Dec 16 11:00:40 GMT 2023
PRIMARY
CAS
155661-11-3
Created by admin on Sat Dec 16 11:00:40 GMT 2023 , Edited by admin on Sat Dec 16 11:00:40 GMT 2023
PRIMARY