quassin

(1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione

CAS: 76-78-8

Molecular Formula	`C22H28O6`
Molecular Weight	388.5 g/mol
LogP	2.4
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	388.1886
Heavy Atoms	28
Complexity	838.0

Chemical Identifiers

CAS Number	76-78-8
SMILES	`CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC`
InChIKey	`IOSXSVZRTUWBHC-LBTVDEKVSA-N`

📖 Product Overview

quassin (CAS: 76-78-8) is a chemical compound with molecular formula C22H28O6 and molecular weight 388.5 g/mol. Its IUPAC systematic name is (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione. LogP 2.4 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 388.1886 Heavy Atoms 28 Complexity 838.0 InChI Key: IOSXSVZRTUWBHC-LBTVDEKVSA-N. SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC.

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