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Reference substances

Reference substances

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General information

Inventory

EC number:
217-102-8
EC name:
[1R-(1α,4aβ,10aα)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
CAS number:
1740-19-8

No inventory information available

Reference substance information

IUPAC name:
abieta-8,11,13-trien-18-oic acid
Synonyms
Names:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro- 1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1?,4aß,10a?)]-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
[1r-(1a,4ab,10aa]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic_acid
dehydroabietic acid
Identifier:
other: InChl
InChI=1S/C20H28O2/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)/t17-,19-,20-/m1/s1
Identifier:
other: SMILES notation
O=C(O)[C@]3([C@@H]2CCc1c(ccc(c1)C(C)C)[C@@]2(C)CCC3)C

CAS information

CAS number:
1740-19-8

Molecular and structural information

Molecular formula:
C20H28O2
Molecular weight:
300.435
SMILES notation:
CC(C)c1ccc2c(CC[C@H]3[C@@](C)(CCC[C@]23C)C(=O)O)c1
InChl:
InChI=1/C20H28O2/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)
Structural formula:
Chemical structure