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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
abieta-7,13-dien-18-oic acid

Inventory

EC number:
208-178-3
EC name:
Abietic acid
CAS number:
514-10-3
CAS number:
514-10-3
Synonyms
Names:
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a- decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1?,4aß,4b?,10a?)]-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-
Identifier:
IUPAC name
Abieta-7,13-dien-18-oic acid
Identifier:
other: SMILES notation
CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1
Identifier:
other: InChl
InChI=1S/C20H30O2/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)/t16-,17-,19-,20-/m0/s1

Molecular and structural information

Molecular formula:
C20H30O2
Molecular weight:
302.451
SMILES notation:
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1
InChl:
InChI=1/C20H30O2/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)
Structural formula:
Chemical structure

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