Acnistin E

(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

CAS: 76994-39-3

Molecular Formula	`C28H38O7`
Molecular Weight	486.6 g/mol
LogP	2.0
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	486.26175
Heavy Atoms	35
Complexity	1070.0

Chemical Identifiers

CAS Number	76994-39-3
SMILES	`CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6`
InChIKey	`FKQUQCYOBZEPTK-LOBFLEJSSA-N`

📖 Product Overview

Acnistin E (CAS: 76994-39-3) is a chemical compound with molecular formula C28H38O7 and molecular weight 486.6 g/mol. Its IUPAC systematic name is (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S,4R,5S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one. LogP 2.0 Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 486.26175 Heavy Atoms 35 Complexity 1070.0 InChI Key: FKQUQCYOBZEPTK-LOBFLEJSSA-N. SMILES: CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6.

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