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

OC1=CC=C(\C=C\C2=C3[C@H]([C@@H](OC3=CC4=C2[C@@H]([C@H](O4)C5=CC=C(O)C=C5)C6=CC(O)=CC7=C6[C@H]([C@@H](O7)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)C=C1

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

Molecular Formula C56H42O12
Molecular Weight 906.9255
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:17:05 GMT 2025
Edited
by admin
on Wed Apr 02 09:17:05 GMT 2025
Record UNII
8256ST4BZK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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.,
Preferred Name English
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
Code System Code Type Description
WIKIPEDIA
Flexuosol A
Created by admin on Wed Apr 02 09:17:05 GMT 2025 , Edited by admin on Wed Apr 02 09:17:05 GMT 2025
PRIMARY
FDA UNII
8256ST4BZK
Created by admin on Wed Apr 02 09:17:05 GMT 2025 , Edited by admin on Wed Apr 02 09:17:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID30745437
Created by admin on Wed Apr 02 09:17:05 GMT 2025 , Edited by admin on Wed Apr 02 09:17:05 GMT 2025
PRIMARY
PUBCHEM
71308201
Created by admin on Wed Apr 02 09:17:05 GMT 2025 , Edited by admin on Wed Apr 02 09:17:05 GMT 2025
PRIMARY
CAS
205440-11-5
Created by admin on Wed Apr 02 09:17:05 GMT 2025 , Edited by admin on Wed Apr 02 09:17:05 GMT 2025
PRIMARY