Registration Dossier
Registration Dossier
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EC number: 263-144-5 | CAS number: 61790-51-0
Reference substances
- 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)]-
Inventory
- EC number:
- 238-313-1
- EC name:
- Sodium abietate
- CAS number:
- 14351-66-7
- CAS number:
- 14351-66-7
Synonyms
- Names:
- 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)-
- 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.)?-
- 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
- Identifier:
- IUPAC name
- 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)-
- Identifier:
- IUPAC name
- 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)-
- Identifier:
- IUPAC name
- sodium abieta-7,13-dien-18-oate
- Identifier:
- other: Molecular formula
- C20H29O2Na
- Identifier:
- other: InChl
- InChI=1/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
- Identifier:
- other: SMILES notation
- Not applicable, UVCB
- Identifier:
- other: InChl
- Not applicable, UVCB
- Identifier:
- other: SMILES notation
- [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1
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:
Related substances
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