Sodium abietate

C₂₀H₂₉NaO₂CAS 14351-66-7324.44 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₂₀H₂₉NaO₂
Molar mass: 324.44 g/mol
Exact mass: 324.2065 Da
Melting point: 300 °C (decomposes)
logP: 4.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

14351-66-7

SMILES

CC(C)C1=CC2=CC[C@H]3[C@](C)(C([O-])=O)CCC[C@]3(C)[C@H]2CC1.[Na+]

InChIKey

MMAVEIHWODPLLI-XTICBAGASA-N

InChI

InChI=1S/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/t16-,17+,19+,20+;/m0./s1

Weigh it out

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

Names and synonyms

5 names

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt (1:1), (1R,4aR,4bR,10aR)-
Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, sodium salt
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1α,4aβ,4bα,10aα)]-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, (1R,4aR,4bR,10aR)-
Abietic acid sodium salt

Work with Sodium abietate

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

Elsewhere

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