Dehydroabietic acid
Properties
- Molecular formula
- C20H28O2
- Molar mass
- 300.44 g/mol
- Exact mass
- 300.2089 Da
- Melting point
- 166–167 °C
- logP
- 4.90Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Stereocentres
- R, R, Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed65.9% of notifiers
Aggregated from 694 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
1740-19-8SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21CInChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
- Abietic acid, dehydro-
- Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1α,4aβ,10aα)]-
- (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid
- Abieta-8,11,13-trien-18-oic acid
- (+)-Dehydroabietic acid
- NSC 2952
- Resigral 52
- 7-Callitrisic acid
Work with Dehydroabietic acid
Similar compounds
Ecabet sodium86408-72-261 % similar
Leelamine1446-61-359 % similar
Carnosic acid3650-09-741 % similar
Isosteviol27975-19-535 % similar
Kaurenoic acid6730-83-234 % similar
Steviol471-80-734 % similar
Abietic acid514-10-334 % similar
Levopimaric acid79-54-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.