Chemical Properties of 7«beta»,16«beta»,17-triOH-kauranolide, TMS

7«beta»,16«beta»,17-triOH-kauranolide, TMS

InChI
InChI=1S/C29H54O5Si3/c1-26-15-12-16-27(2)23(26)22(32-25(27)30)24(33-36(6,7)8)28-17-20(13-14-21(26)28)29(18-28,34-37(9,10)11)19-31-35(3,4)5/h20-24H,12-19H2,1-11H3/t20-,21?,22-,23?,24+,26+,27-,28-,29-/m0/s1
InChI Key
JQOXUXMAXUVRFF-SMASEPDESA-N
Formula
C29H54O5Si3
SMILES
CC12CCCC3(C)C1C(OC2=O)C(O[Si](C)(C)C)C12CC(CCC31)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C2
Molecular Weight1
566.99
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Physical Properties

Property Value Unit Source
ω 0.7521 Relay (1.0) Calculated Property
ΔfG° -300.76 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1316.69 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 113.64 kJ/mol Relay (1.0) Calculated Property
IE 9.25 eV Relay (1.0) Calculated Property
log10WS -5.52 Relay (1.0) Calculated Property
logPoct/wat 7.206 Crippen Calculated Property
Inp 3041.00 NIST
Tboil 715.73 K Relay (1.0) Calculated Property
Tc 993.85 K Relay (1.0) Calculated Property
Tfus 359.98 K Relay (1.0) Calculated Property
Vc 1.818 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

ent-7«alpha»,16«beta»,17-tri-(OH)-16,17-dihydrokaurenolide, Me-TMS. ent-16«beta»,17-H2(OH)2 7«alpha»-OH kaurenolide, MeTMSi. 7«beta»,16«alpha»,17-triOH-kauranolide, TMS. 16«alpha»,17-H2(OH)2 GA4, MeTMSi. [13C] 16«alpha», 17-H2-16, 17-(OH)2-GA4 methyl ester TMS ether. [13C]endo-GA34 methyl ester TMS ether. 3-epi-GA34, MeTMS. GA47, MeTMSi. GA34 methyl ester TMS ether. GA54, MeTMSi. 3-epi GA54, MeTMSi. GA16, MeTMSi. 3-epi-GA54, MeTMS. GA33-16,17-dihydro-17-ol, Me-TMS. 16«alpha»,17-H2 (OH)2 GA34, MeTMS.

Find more compounds similar to 7«beta»,16«beta»,17-triOH-kauranolide, TMS.

Sources

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