Chemical Properties of Ginkgolide J 3TMS

InChI

InChI=1S/C29H48O10Si3/c1-15-21(30)33-16-14-26-19-17(37-40(5,6)7)18(25(2,3)4)27(26)20(38-41(8,9)10)22(31)35-24(27)36-29(26,23(32)34-19)28(15,16)39-42(11,12)13/h15-20,24H,14H2,1-13H3

InChI Key

AKKPFRHBJGSCHR-UHFFFAOYSA-N

Formula

C29H48O10Si3

SMILES

CC1C(=O)OC2CC34C5OC(=O)C3(OC3OC(=O)C(O[Si](C)(C)C)C34C(C(C)(C)C)C5O[Si](C)(C)C)C21O[Si](C)(C)C

Molecular Weight¹

640.94

• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	4.208		Crippen Calculated Property
Inp	[3133.70; 3133.70]
Inp	3133.70		NIST
Inp	3133.70		NIST

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Similar Compounds

Find more compounds similar to Ginkgolide J 3TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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