(1|A,2|A)-crinan-1,2-diol structure

(1|A,2|A)-crinan-1,2-diol

(1S,13R,16R,17S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol

Also Known As: Amabiline|(1|A,2|A)-crinan-1,2-diol|A)-crinan-1,2-diol|Crinan-1alpha,2alpha-diol|5xi-Crinan-1alpha,2alpha-diol|KST-1A2153|Crinan-1, (1.alpha.,2.alpha.)-|(1S,13R,16R,17S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol|Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolidizin-7-yl)methyl ester|1H,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-1,2-diol, 2,3,4,4a-tetrahydro-, (1S,2R,4aR,5S,11bS)-|A,2

CAS: 1803-57-2
Molecular Formula C16H19NO4
Molecular Weight 289.1314 g/mol
LogP 0.9
Topological Polar Surface Area 62.2 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 0
Exact Mass 289.1314
Monoisotopic Mass 289.1314
Heavy Atoms 21
Complexity 446.0

Chemical Identifiers

CAS Number 1803-57-2
SMILES C1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]([C@@H]1O)O
InChIKey DLYIURZCCWSUKD-MPESAESLSA-N

Product Overview

(1|A,2|A)-crinan-1,2-diol (CAS 1803-57-2), with molecular formula C16H19NO4 and molecular weight 289.1314 g/mol. IUPAC: (1S,13R,16R,17S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol.

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