Chemical Properties of Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, [3R-(3«alpha»,3a«beta»,9a«beta»,9b«alpha»)]- (CAS 5956-04-7)

Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, [3R-(3«alpha»,3a«beta»,9a«beta»,9b«alpha»)]-

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InChI
InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3
InChI Key
BJPSSVHNEGMBDQ-UHFFFAOYSA-N
Formula
C15H18O3
SMILES
CC1=CC(=O)C2=C(C)CCC3C(C)C(=O)OC3C12
Molecular Weight1
246.30
CAS
5956-04-7
Other Names
  • 3,6,9-Trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione-, (3R,3aS,9aS,9bS)-
  • Achillin
  • Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3R,3aS,9aS,9bS)-
  • Guaia-1(10),3-dien-12-oic acid, 6«alpha»-hydroxy-2-oxo-, «gamma»-lactone, (11R)-
Sources

Physical Properties

Property Value Unit Source
Δf -98.71 kJ/mol Joback Calculated Property
Δfgas -505.76 kJ/mol Joback Calculated Property
Δfus 29.96 kJ/mol Joback Calculated Property
Δvap 64.68 kJ/mol Joback Calculated Property
logPoct/wat 2.42 Crippen Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Tboil 751.08 K Joback Calculated Property
Tc 998.19 K Joback Calculated Property
Tfus 496.40 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 598.11 J/mol×K 751.08 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 3
=CH- (ring) 1
=C< (ring) 3
>C=O (ring) 2
>CH- (ring) 4
-CH2- (ring) 2

Similar Compounds

Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-. 6,11-«alpha»(H)-Santonin. «alpha»-Santonin. 6-«alpha»(H)-Santonin. Eudesma-5,11(13)-dien-8,12-olide. 5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one. 3-Acetoxyamorpha-4,7(11)-dien-8-one. (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. 8-epi-1,2-Dihydroartemisin. (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-. Gazaniolide. 10-Epigazaniolide. Santamarine. Lovastatin.

Find more compounds similar to Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, [3R-(3«alpha»,3a«beta»,9a«beta»,9b«alpha»)]-.

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