Cas no 69506-65-6 (Benzoic acid,2-(8Z)-8-heptadecen-1-yl-4,6-dihydroxy-)
69506-65-6 structure
Product Name:Benzoic acid,2-(8Z)-8-heptadecen-1-yl-4,6-dihydroxy-
CAS No:69506-65-6
MF:C24H38O4
MW:390.556128025055
CID:523472
PubChem ID:5319371
Update Time:2025-04-19
Benzoic acid,2-(8Z)-8-heptadecen-1-yl-4,6-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(8Z)-8-heptadecen-1-yl-4,6-dihydroxy-
- Benzoic acid,2-(8Z)-8-heptadecenyl-4,6-dihydroxy- (9CI)
- Benzoicacid, 2-(8-heptadecenyl)-4,6-dihydroxy-, (Z)-
- D8'-Merulinic acid A
- 69506-65-6
- Merulinic acid A
- 2-[(E)-heptadec-8-enyl]-4,6-dihydroxybenzoic acid
- CHEBI:175125
- 2-(8-heptadecenyl)-4,6-dihydroxybenzoic acid
- Delta-8'-Merulinic acid A
- DTXSID301228000
- CHEMBL476715
- XH162531
- CHEBI:217771
- 2-(8Z)-8-Heptadecen-1-yl-4,6-dihydroxybenzoic acid
- 2-[(Z)-heptadec-8-enyl]-4,6-dihydroxybenzoic acid
-
- Inchi： 1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25)19-22(26)23(20)24(27)28/h9-10,18-19,25-26H,2-8,11-17H2,1H3,(H,27,28)/b10-9-
- InChI Key： IXDZSQUQSCLSSD-KTKRTIGZSA-N
- SMILES： OC1=CC(=CC(=C1C(=O)O)CCCCCCC/C=C\CCCCCCCC)O
Computed Properties
- Exact Mass: 390.27714
- Monoisotopic Mass: 390.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 16
- Complexity: 421
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.3
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
Benzoic acid,2-(8Z)-8-heptadecen-1-yl-4,6-dihydroxy- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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