Chemical Properties of (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde (CAS 103654-28-0)

(1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde

InChI
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,12-14,17-18H,5,7-11H2,1-4H3
InChI Key
QAOPEXQKBQUUSQ-UHFFFAOYSA-N
Formula
C20H30O
SMILES
CC(C)C1=CCC2C(=C1)CCC1C(C)(C=O)CCCC21C
Molecular Weight1
286.45
CAS
103654-28-0
Other Names
  • Levopimaral
  • Levopimarinal
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Physical Properties

Property Value Unit Source
ΔfusH° 20.37 kJ/mol Joback Calculated Property
logPoct/wat 5.321 Crippen Calculated Property
McVol 253.050 ml/mol McGowan Calculated Property
Inp [2265.40; 2265.40]   Show Hide
Inp 2265.40 NIST
Inp 2265.40 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [326.13; 943.21] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.31790e+02
Coefficient B2.61528e+00
Coefficient C-2.33928e-03
Coefficient D8.99000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 326.13 J/mol×K 273.00 Calculated Property
Cp,gas 440.46 J/mol×K 353.78 Calculated Property
Cp,gas 536.72 J/mol×K 434.56 Calculated Property
Cp,gas 617.75 J/mol×K 515.33 Calculated Property
Cp,gas 686.38 J/mol×K 596.11 Calculated Property
Cp,gas 745.47 J/mol×K 676.89 Calculated Property
Cp,gas 797.85 J/mol×K 757.67 Calculated Property
Cp,gas 846.37 J/mol×K 838.44 Calculated Property
Cp,gas 893.88 J/mol×K 919.22 Calculated Property
Cp,gas 943.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-epi-Abietal. Abietal. (4aS,4bS,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene. Abieta-7,13-dien-3-one. (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde. (1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carbaldehyde. Abietadiene. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,9,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,10a«alpha»)]-. Methyl 8(14),12-Abietadien-18-oate. Abietic acid. Isopimarinal. Dehydroabietene. Methyl abietate. Methyl abieta-7,13-dien-18-oate. Himachala-2,4-diene.

Find more compounds similar to (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde.

Sources

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