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Details

Stereochemistry ACHIRAL
Molecular Formula C34H40O12
Molecular Weight 640.6742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FILIXIC ACID PBP

SMILES

CCCC(=O)C1=C(O)C(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)=C(O)C(CC3=C(O)C(C)(C)C(O)=C(C(=O)CC)C3=O)=C1O

InChI

InChIKey=QDXWQQHBHKFELA-UHFFFAOYSA-N
InChI=1S/C34H40O12/c1-8-11-20(37)21-25(39)14(12-16-27(41)22(18(35)9-2)31(45)33(4,5)29(16)43)24(38)15(26(21)40)13-17-28(42)23(19(36)10-3)32(46)34(6,7)30(17)44/h38-40,43-46H,8-13H2,1-7H3

HIDE SMILES / InChI

Molecular Formula C34H40O12
Molecular Weight 640.6742
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:49:30 UTC 2023
Edited
by admin
on Sat Dec 16 09:49:30 UTC 2023
Record UNII
O5R2R6046T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FILIXIC ACID PBP
Common Name English
2,5-CYCLOHEXADIEN-1-ONE, 2,2'-((2,4,6-TRIHYDROXY-5-(1-OXOBUTYL)-1,3-PHENYLENE)BIS(METHYLENE))BIS(3,5-DIHYDROXY-4,4-DIMETHYL-6-(1-OXOPROPYL)-
Systematic Name English
ACIDE FILIXIQUE PBT
Common Name English
FILIXIC ACIDS PBP [MI]
Common Name English
Code System Code Type Description
CAS
51005-85-7
Created by admin on Sat Dec 16 09:49:30 UTC 2023 , Edited by admin on Sat Dec 16 09:49:30 UTC 2023
PRIMARY
FDA UNII
O5R2R6046T
Created by admin on Sat Dec 16 09:49:30 UTC 2023 , Edited by admin on Sat Dec 16 09:49:30 UTC 2023
PRIMARY
PUBCHEM
20055092
Created by admin on Sat Dec 16 09:49:30 UTC 2023 , Edited by admin on Sat Dec 16 09:49:30 UTC 2023
PRIMARY