Registration Dossier
Registration Dossier
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EC number: 263-142-4 | CAS number: 61790-50-9
Reference substances
- IUPAC name:
- 7,13-abietadien-18-oic acid, potassium salt
Inventory
- EC number:
- 245-522-1
- EC name:
- Potassium abietate
- CAS number:
- 23250-44-4
- CAS number:
- 23250-44-4
Synonyms
- Names:
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, potassium 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)-, potassium salt, ?1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)?-
- 7,13-abietadien-18-oic acid, potassium salt
- potassium (1R)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-
- Identifier:
- IUPAC name
- Potassium abieta-7,13-dien-18-oate
- Identifier:
- IUPAC name
- potassium (1R,4aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
- Identifier:
- IUPAC name
- potassium abieta-7,13-dien-18-oate
- Identifier:
- other: Molecular formula
- C20H29O2.K
- Identifier:
- other: InChl
- InChI=1/C20H30O2.K/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
- [K+].CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C([O-])=O)C2CC1
- Identifier:
- other: SMILES notation
- [K+].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.K
- Molecular weight:
- >= 340.5
- SMILES notation:
- CC(C)C1=CC2=CCC3[C@](C)(C([O-])=O)CCCC3(C)C2CC1.[K+]
- InChl:
- InChI=1/C20H30O2.K/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-;/s2
- Structural formula:
Related substances
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