Zephyranthine structure

Zephyranthine

(17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol

Also Known As: Zephyranthine|(17R,18S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol|(1S,2R)-2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol|2,3,3a,4,5,7,12b,12c-Octahydro-1H,10H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol

CAS: 2030-55-9
Molecular Formula C16H19NO4
Molecular Weight 289.1314 g/mol
LogP 0.7
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 433.0

Chemical Identifiers

CAS Number 2030-55-9
SMILES C1CN2CC3=CC4=C(C=C3C5C2C1C[C@H]([C@H]5O)O)OCO4
InChIKey VJILFEGOWCJNIK-DNZXADHWSA-N

Product Overview

Zephyranthine (CAS 2030-55-9), with molecular formula C16H19NO4 and molecular weight 289.1314 g/mol. IUPAC: (17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol.

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