Dehydroabietane
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Basic information
- CAS
19407-28-4- Standard SMILES
CC(C)c1ccc2c(c1)CCC1C(C)(C)CCCC21C- InChIKey
QUUCYKKMFLJLFS-UHFFFAOYSA-N- Molecular formula
- C20H30
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.23475096
Names & identifiers
- Preferred name
- Dehydroabietane
- IUPAC
- 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
- English name
- 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
- Molecular formula
- C20H30
- Molecular weight
- 270.45
Names & synonyms
RefChem:1083056Dehydroabietane7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthreneDehydroabietan1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthreneAbieta-8,11,13-rieneSCHEMBL6319702SCHEMBL6319708QUUCYKKMFLJLFS-UHFFFAOYSA-NPhenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a octahydrophenanthrenePhenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,1,4a-trimethyl-
Show more names
Abietatrienear-Abietatriene8,11,13-AbietatrieneAbieta-8,11,13-trienePhenanthrene,1,2,3,4,4a,9,(4aS,10aS)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4a-trimethyl-7-isopropylphenanthrenePhenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,10aS)-
Database identifiers
- CAS
19407-28-4- PubChem CID
- 86869
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 41 · 41-44 °C
- Boiling point
- 135 °C · 135 °C(Press: 0.05 Torr)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. woody spicy herbal
- Odor Type
- woody
- LogP
- 8.204 · 8.204 (est)
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Related reactions
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Compound notes
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