RefChem:1092769

8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

CAS: 99796-69-7

Molecular Formula	`C20H24O10`
Molecular Weight	424.4 g/mol
LogP	-0.4
Topological Polar Surface Area	149.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	1
Exact Mass	424.13693
Heavy Atoms	30
Complexity	925.0

Chemical Identifiers

CAS Number	99796-69-7
SMILES	`CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O`
InChIKey	`SQOJOAFXDQDRGF-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1092769 (CAS: 99796-69-7) is a chemical compound with molecular formula C20H24O10 and molecular weight 424.4 g/mol. Its IUPAC systematic name is 8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione. LogP -0.4 Topological Polar Surface Area 149.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 1 Exact Mass 424.13693 Heavy Atoms 30 Complexity 925.0 InChI Key: SQOJOAFXDQDRGF-UHFFFAOYSA-N. SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O.

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