Chemical Properties of 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated

16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated

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InChI
InChI=1S/C32H50O12/c1-29-20(36-3)11-12-32(44-28(29)34)19-10-9-17-13-30(19,21(25(29)32)26(33)40-7)15-31(17,41-8)16-42-27-24(39-6)23(38-5)22(37-4)18(43-27)14-35-2/h17-25,27H,9-16H2,1-8H3/t17?,18-,19-,20+,21-,22-,23+,24-,25-,27-,29-,30-,31+,32-/m1/s1
InChI Key
DYZOPYIERZRHQX-QULGNCHQSA-N
Formula
C32H50O12
SMILES
COCC1OC(OCC2(OC)CC34CC2CCC3C23CCC(OC)C(C)(C(=O)O2)C3C4C(=O)OC)C(OC)C(OC)C1OC
Molecular Weight1
626.73
Sources

Physical Properties

Property Value Unit Source
Δf -824.83 kJ/mol Joback Calculated Property
Δfgas -1971.61 kJ/mol Joback Calculated Property
Δfus 66.89 kJ/mol Joback Calculated Property
Δvap 119.38 kJ/mol Joback Calculated Property
logPoct/wat 2.14 Crippen Calculated Property
Pc 804.79 kPa Joback Calculated Property
Tboil 1311.90 K Joback Calculated Property
Tc 1621.26 K Joback Calculated Property
Tfus 951.25 K Joback Calculated Property
Vc 1.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2234.19 J/mol×K 1311.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 8
-O- (ring) 2
>C=O (nonring) 1
-CH2- 2
>C< (ring) 4
-CH3 8
>CH- (ring) 10
-CH2- (ring) 6
>C=O (ring) 1

Similar Compounds

GA4-3.beta.-O-glucoside, permethylated. GA34-2-O-Glc (17-D2), permethylated. GA35-11.beta.-O-glucoside, permethylated. 3-epi-GA1-3«alpha»-O-glucoside, permethylated. GA1-3-O-«beta»-D-glucopyranoside, permethyl. GA1-3«beta»-O-glucoside, permethylated. 3-epiGA1-3-O-«beta»-D-glucopyranoside, permethyl. GA8-2-O-«beta»-D-glucopyranoside, permethyl. GA8-2«beta»-O-glucoside, permethylated. GA8-2-O-glucoside, permethyl. 3-epiGA1-13-O-«beta»-D-glucopyranoside, permethyl. 3-epi-GA1-13-O-glucoside, permethylated. GA1-13-O-«beta»-D-glucopyranoside, permethyl. GA1, 13-O-glucoside, permethylated. GA8-13-O-glucoside, permethylated.

Find more compounds similar to 16«alpha»,17-dihydroxy-16,17-dihydroGA4-17-O-«beta»-D-glucopyranoside, permethylated.

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