AG003NM0

14351-66-7 | Abietic Acid Sodium Salt

AG003NM0

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CAS Number	14351-66-7
Catalog Number	AG003NM0(AGN-PC-0PU4YG)
Chemical Name	Abietic Acid Sodium Salt
EC Number	238-313-1
IUPAC Name	sodium;(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
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);/q;+1/p-1/t16-,17+,19+,20+;/m0./s1
InChI Key	ITCAUAYQCALGGV-XTICBAGASA-M
MDL Number	MFCD00058941
Molecular Formula	C20H29NaO2
Molecular Weight	324.4328
SMILES	C[C@@]1(C2[C@@](CCC1)(C)[C@@]3([H])CCC(C(C)C)=CC3=CC2)C([O-])=O.[Na+]
UNII	0E9Y24M11F
Synonyms	Sodium abietate, UNII-0E9Y24M11F, 14351-66-7, 0E9Y24M11F, Sodium abietate, technical, EINECS 238-313-1, Abietic acids, sodium salts, DSSTox_CID_22399, DSSTox_RID_80013, DSSTox_GSID_42399, SCHEMBL202515, CHEMBL3188252, DTXSID8042399, CTK8B3016, 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)-, Tox21_301864, ANW-41601, AKOS025294501, NCGC00255896-01, 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)-, CAS-14351-66-7, TR-005547, A808079, J-007825, sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate, C20H30O2.Na, C20-H30-O2.Na, CID61736, 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-(1alpha,4abeta,4balpha,10aalpha))-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-,

Complexity	548
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	324.207g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	324.44g/mol
Monoisotopic Mass	324.207g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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