Chemical Properties of 3«beta»-Acetoxy-13-epi-manoyl oxide

3«beta»-Acetoxy-13-epi-manoyl oxide

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InChI
InChI=1S/C22H36O3/c1-8-20(5)12-9-17-21(6)13-11-18(24-15(2)23)19(3,4)16(21)10-14-22(17,7)25-20/h8,16-18H,1,9-14H2,2-7H3/t16?,17?,18-,20+,21-,22+/m1/s1
InChI Key
XMEKIZPKINZLRR-HTGCZIDLSA-N
Formula
C22H36O3
SMILES
C=CC1(C)CCC2C(C)(CCC3C(C)(C)C(OC(C)=O)CCC32C)O1
Molecular Weight1
348.52
Sources

Physical Properties

Property Value Unit Source
Δf -28.89 kJ/mol Joback Calculated Property
Δfgas -581.58 kJ/mol Joback Calculated Property
Δfus 25.22 kJ/mol Joback Calculated Property
Δvap 72.32 kJ/mol Joback Calculated Property
logPoct/wat 5.28 Crippen Calculated Property
Pc 1384.02 kPa Joback Calculated Property
Tboil 826.53 K Joback Calculated Property
Tc 1061.68 K Joback Calculated Property
Tfus 549.53 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1013.62 J/mol×K 826.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
>C=O (nonring) 1
=CH2 1
=CH- 1
>C< (ring) 4
-CH3 6
>CH- (ring) 3
-CH2- (ring) 6

Similar Compounds

ent-3«beta»-acetoxy-13-epi-manoyl oxide. 3«beta»-hydroxy-13-epi-manoyl oxide. 3«beta»-hydroxy-manoyl oxide isomer. ent-3«beta»-Hydroxy-13-epi-manoyl oxide. Manoyl oxide, epi-13. Monool oxide. 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,10a«alpha»,10b«beta»)]-. ent-manoyl oxide. 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. ent-8-epi-manoyl oxide. Manool oxide. ent-13-epi-manoyl oxide. 2-Ketomanool oxide. 9H-Naphtho[2,1-b]pyran-9-one, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. 2-keto-13-epi-manoyl oxide.

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