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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H26N2O10
Molecular Weight 550.5145
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALANOL

SMILES

c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@]3([H])CCCNC[C@@]3([H])NC(=O)c4ccc(cc4)O)O)C(=O)O

InChI

InChIKey=XYUFCXJZFZPEJD-XMSQKQJNSA-N
InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H26N2O10
Molecular Weight 550.5145
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:47:18 UTC 2021
Edited
by admin
on Fri Jun 25 23:47:18 UTC 2021
Record UNII
O0N0E1MP23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALANOL
Common Name English
(-)-BALANOL
Common Name English
OPHIOCORDIN
Common Name English
AZEPINOSTATIN
Common Name English
BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, 1-(HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL) ESTER, (3R-TRANS)-
Systematic Name English
BENZOIC ACID, 4-(2-CARBOXY-6-HYDROXYBENZOYL)-3,5-DIHYDROXY-, (3R,4R)-HEXAHYDRO-3-((4-HYDROXYBENZOYL)AMINO)-1H-AZEPIN-4-YL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
O0N0E1MP23
Created by admin on Fri Jun 25 23:47:18 UTC 2021 , Edited by admin on Fri Jun 25 23:47:18 UTC 2021
PRIMARY
DRUG BANK
DB04098
Created by admin on Fri Jun 25 23:47:18 UTC 2021 , Edited by admin on Fri Jun 25 23:47:18 UTC 2021
PRIMARY
CAS
63590-19-2
Created by admin on Fri Jun 25 23:47:18 UTC 2021 , Edited by admin on Fri Jun 25 23:47:18 UTC 2021
PRIMARY
WIKIPEDIA
BALANOL
Created by admin on Fri Jun 25 23:47:18 UTC 2021 , Edited by admin on Fri Jun 25 23:47:18 UTC 2021
PRIMARY
PUBCHEM
5287736
Created by admin on Fri Jun 25 23:47:18 UTC 2021 , Edited by admin on Fri Jun 25 23:47:18 UTC 2021
PRIMARY
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