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

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H42O12
Molecular Weight 906.9255
Optical Activity ( - )
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FLEXUOSOL A

SMILES

[H][C@@]1([C@@H](OC2=C1C(\C=C\C3=CC=C(O)C=C3)=C4[C@@H]([C@H](OC4=C2)C5=CC=C(O)C=C5)C6=C7[C@H]([C@@H](OC7=CC(O)=C6)C8=CC=C(O)C=C8)C9=CC(O)=CC(O)=C9)C%10=CC=C(O)C=C%10)C%11=CC(O)=CC(O)=C%11

InChI

InChIKey=GLQOGVYZTTVYKZ-NNJXGGENSA-N
InChI=1S/C56H42O12/c57-34-10-1-28(2-11-34)3-18-43-50-46(67-54(29-4-12-35(58)13-5-29)48(50)32-19-38(61)23-39(62)20-32)27-47-51(43)53(56(68-47)31-8-16-37(60)17-9-31)44-25-42(65)26-45-52(44)49(33-21-40(63)24-41(64)22-33)55(66-45)30-6-14-36(59)15-7-30/h1-27,48-49,53-65H/b18-3+/t48-,49-,53+,54+,55+,56-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FLEXUOSOL A
Common Name English
REL-(-)-5-((2R,3R,5S,6S)-5-((2R,3R)-3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)-2,3,5,6-TETRAHYDRO-2,6-BIS(4-HYDROXYPHENYL)-4-((1E)-2-(4-HYDROXYPHENYL)ETHENYL)BENZO(1,2-B:5,4-B')DIFURAN-3-YL)-1,3-BENZENEDIOL
Systematic Name English
1,3-BENZENEDIOL, 5-(5-(3-(3,5-DIHYDROXYPHENYL)-2,3-DIHYDRO-6-HYDROXY-2-(4-HYDROXYPHENYL)-4-BENZOFURANYL)-2,3,5,6-TETRAHYDRO-2,6-BIS(4-HYDROXYPHENYL)-4-(2-(4-HYDROXYPHENYL)ETHENYL)BENZO(1,2-B:5,4-B')DIFURAN-3-YL)-, (2.ALPHA.,3.BETA.(2S*,3S*),4(E),5.BETA.,
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Flexuosol A
Created by admin on Sat Dec 16 17:34:07 GMT 2023 , Edited by admin on Sat Dec 16 17:34:07 GMT 2023
PRIMARY
FDA UNII
8256ST4BZK
Created by admin on Sat Dec 16 17:34:07 GMT 2023 , Edited by admin on Sat Dec 16 17:34:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID30745437
Created by admin on Sat Dec 16 17:34:07 GMT 2023 , Edited by admin on Sat Dec 16 17:34:07 GMT 2023
PRIMARY
PUBCHEM
71308201
Created by admin on Sat Dec 16 17:34:07 GMT 2023 , Edited by admin on Sat Dec 16 17:34:07 GMT 2023
PRIMARY
CAS
205440-11-5
Created by admin on Sat Dec 16 17:34:07 GMT 2023 , Edited by admin on Sat Dec 16 17:34:07 GMT 2023
PRIMARY