1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt (1:1), (1R,4aS,10aR)- supplier

Name
sodium [1R-(1alpha,4abeta,10aalpha)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate
EINECS 248-873-9
CAS No. 28161-39-9
Density
Solubility
Melting Point
Formula C₂₀H₂₇NaO₂
Boiling Point
Molecular Weight 322.41695
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt, (1R,4aS,10aR)- (9CI);1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodium salt,[1R-(1a,4ab,10aa)]-;Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-, sodium salt(8CI);Dehydroabietic acid sodium salt;Sodium dehydroabietate;
PSA 40.13000
LogP 3.57020

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt (1:1), (1R,4aS,10aR)- Specification

The CAS register number of 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt (1:1), (1R,4aS,10aR)- is 28161-39-9. It also can be called as Dehydroabietic acid sodium salt and the IUPAC name about this chemical is sodium (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate. The molecular formula about this chemical is C₂₀H₂₇NaO₂and the molecular weight is 322.41695.

Physical properties about 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt (1:1), (1R,4aS,10aR)- are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 40.13 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)C1(C)CCCC2(C)c3ccc(cc3CCC12)C(C)C
(2)InChI: InChI=1/C20H28O2.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;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1
(3)InChIKey: ZCSNFGCDVJGPDD-REWHXWOFAS
(4)Std. InChI: InChI=1S/C20H28O2.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;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1 CopyCopied
(5)Std. InChIKey: ZCSNFGCDVJGPDD-UHFFFAOYSA-M

Product Name

sodium [1R-(1alpha,4abeta,10aalpha)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, sodiumsalt (1:1), (1R,4aS,10aR)- Specification

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