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Reference substances

Reference substances

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General information

Inventory

EC number:
238-313-1
EC name:
Sodium abietate
CAS number:
14351-66-7

No inventory information available

Reference substance information

IUPAC name:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt, [1R-(1a,4ab,4ba,10aa)]-
Synonyms
Names:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt, [1R-(1a,4ab,4ba,10aa)]-
Abietic acid sodium salt

CAS information

CAS number:
14351-66-7

Molecular and structural information

Molecular formula:
C20H30O2.Na
Molecular weight:
ca. 324
SMILES notation:
[Na+].[O-]C(=O)[C@@]3(C)[C@@H]2C/C=C1/C=C(\CC[C@@H]1[C@@]2(C)CCC3)C(C)C
InChl:
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);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1
Structural formula:
Chemical structure