Chemical Properties of 5-Caffeoyl quinic acid, TMS

5-Caffeoyl quinic acid, TMS

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InChI
InChI=1S/C35H68O9Si6/c1-45(2,3)39-28-23-22-27(24-29(28)40-46(4,5)6)20-19-21-32(36)38-30-25-35(44-50(16,17)18,34(37)43-49(13,14)15)26-31(41-47(7,8)9)33(30)42-48(10,11)12/h19-20,22-24,30-31,33H,21,25-26H2,1-18H3/b20-19+/t30-,31-,33-,35+/m0/s1
InChI Key
HPWKLMNWHGHVHX-SZHIFFBKSA-N
Formula
C35H68O9Si6
SMILES
C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)CC(OC(=O)CC=Cc2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
Molecular Weight1
801.42
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Physical Properties

Property Value Unit Source
log10WS 3.37 Crippen Calculated Property
logPoct/wat 9.632 Crippen Calculated Property
Inp 3190.00 NIST

Similar Compounds

3-Caffeoyl quinic acid, TMS. trans-5-O-Caffeoyl-D-quinic acid, hexakis-TMS. Caffeoylquinic acid, TMS. Chlorogenic acid (6TMS). Caffeoylquinic acid, 5-trans-, 6TMS. trans-3-O-Caffeoyl-D-quinic acid, hexakis-TMS. Caffeoylquinic acid, 3-trans-, 6TMS. 5-O-Feruloylquinic acid, 5TMS. cis-5-O-Feruloylquinic acid, 5TMS. 3-O-Feruloylquinic acid, 5TMS. trans-4-O-Caffeoyl-D-quinic acid, hexakis-TMS. Caffeoylquinic acid, 4-trans-, 6TMS. 4-O-Feruloylquinic acid, 5TMS. 3-O-Coumaroyl-D-quinic acid, 5TMS. trans-3-O-Coumaroyl-D-quinic acid, pentakis-TMS.

Find more compounds similar to 5-Caffeoyl quinic acid, TMS.

Sources

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