Chemical Properties of 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1), «beta»-D-glucopyranoside, TFA

9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1), «beta»-D-glucopyranoside, TFA

InChI
InChI=1S/C27H26F12O11/c1-10-7-12(40)8-23(3,4)13(10)6-5-11(2)46-18-17(50-22(44)27(37,38)39)16(49-21(43)26(34,35)36)15(48-20(42)25(31,32)33)14(47-18)9-45-19(41)24(28,29)30/h6-7,11,14-18H,5,8-9H2,1-4H3/t11?,14-,15-,16+,17-,18-/m1/s1
InChI Key
GDLXSXLMGJXZHJ-YDIZBRRMSA-N
Formula
C27H26F12O11
SMILES
CC1=CC(=O)CC(C)(C)C1=CCC(C)OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F
Molecular Weight1
754.47
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Physical Properties

Property Value Unit Source
ΔfusH° 72.10 kJ/mol Joback Calculated Property
logPoct/wat 4.906 Crippen Calculated Property
McVol 425.280 ml/mol McGowan Calculated Property
Inp [2201.00; 2201.00]   Show Hide
Inp 2201.00 NIST
Inp 2201.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1602.14; 1694.01] J/mol×K [1248.83; 1597.45] Show Hide
Cp,gas 1602.14 J/mol×K 1248.83 Joback Calculated Property
Cp,gas 1618.69 J/mol×K 1306.93 Joback Calculated Property
Cp,gas 1634.10 J/mol×K 1365.04 Joback Calculated Property
Cp,gas 1648.84 J/mol×K 1423.14 Joback Calculated Property
Cp,gas 1663.41 J/mol×K 1481.25 Joback Calculated Property
Cp,gas 1678.30 J/mol×K 1539.35 Joback Calculated Property
Cp,gas 1694.01 J/mol×K 1597.45 Joback Calculated Property

Similar Compounds

9-Hydroxymegastigma-4,6-dien-3-one (isomer # 2), «beta»-D-glucopyranoside, TFA. 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1), 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 2), 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. 4-Oxo-«beta»-ionol, Gly, TFA. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. 3-Oxo-.alpha.-ionol, Gly, TFA. Triamcinolone Acetonide. azadirachtin. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Riddelliine. Diacetylmorphine. Methyldesorphine. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Hydromorphone, tert-butyldimethylsilyl ether.

Find more compounds similar to 9-Hydroxymegastigma-4,6-dien-3-one (isomer # 1), «beta»-D-glucopyranoside, TFA.

Sources

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