Ginkgolic acid II

C₂₄H₃₈O₃CAS 111047-30-4374.56 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Phenol

Properties

Molecular formula: C₂₄H₃₈O₃
Molar mass: 374.56 g/mol
Exact mass: 374.2821 Da
Melting point: 45–46 °C
logP: 7.28Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 16

Hazards

Warning

H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

111047-30-4

SMILES

CCCCCC/C=CCCCCCCCCCc1cccc(O)c1C(=O)O

InChIKey

MBYNDKVOZOAOIS-FPLPWBNLSA-N

InChI

InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Benzoic acid, 2-(10Z)-10-heptadecen-1-yl-6-hydroxy-
Benzoic acid, 2-(10-heptadecenyl)-6-hydroxy-, (Z)-
Benzoic acid, 2-(10Z)-10-heptadecenyl-6-hydroxy-
2-(10Z)-10-Heptadecen-1-yl-6-hydroxybenzoic acid
6-[10-(Z)-Heptadecenyl]salicylic acid
6-[10(Z)-Heptadecenyl]salicylic acid
Ginkgolic acid 17:1
2-Hydroxy-6-(10-heptadecenyl) salicylic acid

Work with Ginkgolic acid II

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ginkgolic acid22910-60-7100 % similar 6-Pentadecylsalicylic acid16611-84-086 % similar Ginkgoneolic acid20261-38-586 % similar Mg1491243583-85-876 % similar Olivetolic acid491-72-556 % similar Nonylphenol25154-52-351 % similar 2-Heptylphenol5284-22-051 % similar 2,6-Dihydroxybenzoic acid303-07-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cholenic acid5255-17-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook