Chemical Properties of (+)-5-Hydroxymarsupellol acetate

(+)-5-Hydroxymarsupellol acetate

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InChI
InChI=1S/C19H28O4/c1-10-13-14-15(19(13,6)9-7-8-18(14,4)5)17(23-12(3)21)16(10)22-11(2)20/h13-17H,1,7-9H2,2-6H3/t13?,14?,15?,16-,17?,19?/m0/s1
InChI Key
SYNMREOKVHJLFP-ZZKWDYDOSA-N
Formula
C19H28O4
SMILES
C=C1C(OC(C)=O)C(OC(C)=O)C2C3C1C2(C)CCCC3(C)C
Molecular Weight1
320.42
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Physical Properties

Property Value Unit Source
Δf -189.43 kJ/mol Joback Calculated Property
Δfgas -685.65 kJ/mol Joback Calculated Property
Δfus 31.27 kJ/mol Joback Calculated Property
Δvap 72.90 kJ/mol Joback Calculated Property
log10WS -4.05 Crippen Calculated Property
logPoct/wat 3.498 Crippen Calculated Property
McVol 256.570 ml/mol McGowan Calculated Property
Pc 1558.58 kPa Joback Calculated Property
Inp [1856.00; 1856.00]   Show Hide
Inp 1856.00 NIST
Inp 1856.00 NIST
Tboil 796.42 K Joback Calculated Property
Tc 1014.11 K Joback Calculated Property
Tfus 539.51 K Joback Calculated Property
Vc 0.979 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [845.15; 975.55] J/mol×K [796.42; 1014.11] Show Hide
Cp,gas 845.15 J/mol×K 796.42 Joback Calculated Property
Cp,gas 866.94 J/mol×K 832.70 Joback Calculated Property
Cp,gas 888.41 J/mol×K 868.98 Joback Calculated Property
Cp,gas 909.79 J/mol×K 905.27 Joback Calculated Property
Cp,gas 931.29 J/mol×K 941.55 Joback Calculated Property
Cp,gas 953.13 J/mol×K 977.83 Joback Calculated Property
Cp,gas 975.55 J/mol×K 1014.11 Joback Calculated Property

Similar Compounds

5«alpha»-Hydroxymarsupellyl acetate. 5-Hydroxymarsupellyl acetate. 4b,5«beta»-Diacetoxygymnomitr-3(15)-ene. GA11, Me. Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Sabinyl, 2-methylbutanoate. 6-Acetoxyeudesm-4(15)-en-7«beta»-ol. 5-Pregnen-3beta-ol, 16alpha,17alpha-epoxy-20-ethylenedioxy-, acetate. T-2 Mycotoxin. 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid. GA32, MeTMSi. 12-«beta»-Hydroxy-GA3, MeTMSi. GA87, MeTMSi. 12-«alpha»-Hydroxy-GA3 = GA87, Me-TMS.

Find more compounds similar to (+)-5-Hydroxymarsupellol acetate.

Sources

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