Pretazettine structure

Pretazettine

(1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol

CAS: 17322-84-8
Molecular Formula C18H21NO5
Molecular Weight 331.4 g/mol
LogP 1.3
Topological Polar Surface Area 60.4 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 1
Exact Mass 331.14197
Heavy Atoms 24
Complexity 542.0

Chemical Identifiers

CAS Number 17322-84-8
SMILES CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5
InChIKey KLJOYDMUWKSYBP-YNBLHMCPSA-N

📖 Product Overview

Pretazettine (CAS: 17322-84-8) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.4 g/mol. Its IUPAC systematic name is (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol. LogP 1.3 Topological Polar Surface Area 60.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 331.14197 Heavy Atoms 24 Complexity 542.0 InChI Key: KLJOYDMUWKSYBP-YNBLHMCPSA-N. SMILES: CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.

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