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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H32O9
Molecular Weight 680.6981
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GNETIN H, CIS-

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)=CC(O)=C6)C7=CC=C(O)C=C7)C8=CC(O)=CC(O)=C8)C=C1

InChI

InChIKey=PHIHHTIYURVLDB-LZPIWRFWSA-N
InChI=1S/C42H32O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37-38,41-49H/b14-3-/t37-,38-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H32O9
Molecular Weight 680.6981
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:48:24 GMT 2023
Edited
by admin
on Fri Dec 15 18:48:24 GMT 2023
Record UNII
AXS35PGD7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GNETIN H, CIS-
Common Name English
5,5'-((2S,3S,5S,6S)-2,3,5,6-TETRAHYDRO-2,6-BIS(4-HYDROXYPHENYL)-4-((1Z)-2-(4-HYDROXYPHENYL)ETHENYL)BENZO(1,2-B:5,4-B')DIFURAN-3,5-DIYL)BIS(1,3-BENZENEDIOL)
Systematic Name English
CIS-GNETIN H
Common Name English
1,3-BENZENEDIOL, 5,5'-((2S,3S,5S,6S)-2,3,5,6-TETRAHYDRO-2,6-BIS(4-HYDROXYPHENYL)-4-((1Z)-2-(4-HYDROXYPHENYL)ETHENYL)BENZO(1,2-B:5,4-B')DIFURAN-3,5-DIYL)BIS-
Systematic Name English
Code System Code Type Description
PUBCHEM
46830469
Created by admin on Fri Dec 15 18:48:24 GMT 2023 , Edited by admin on Fri Dec 15 18:48:24 GMT 2023
PRIMARY
FDA UNII
AXS35PGD7W
Created by admin on Fri Dec 15 18:48:24 GMT 2023 , Edited by admin on Fri Dec 15 18:48:24 GMT 2023
PRIMARY
CAS
1261292-13-0
Created by admin on Fri Dec 15 18:48:24 GMT 2023 , Edited by admin on Fri Dec 15 18:48:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
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