Ushinsunine structure

Ushinsunine

(12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol

Also Known As: Ushinsunine|Ushinsunin|Micheline A|(-)-ushinsunine|OLIVEROLINE|6a-beta-Aporphin-7-alpha-ol, 1,2-(methylenedioxy)-|NCGC00247616-01|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-7-methyl-, (7aS-trans)-|(12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol|(7aS)-6,7,7a,8-Tetrahydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8alpha-ol|(7aS,8R)-7-Methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol|5H-BENZO(G)-1,3-BENZODIOXOLO(6,5,4-DE)QUINOLIN-8-OL, 6,7,7A,8-TETRAHYDRO-7-METHYL-, (7AS,8R)-|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol,6,7,7a,8-tetrahydro-7-methyl-,(7aS-trans)

CAS: 3175-89-1
Molecular Formula C18H17NO3
Molecular Weight 295.12085 g/mol
LogP 2.2
Topological Polar Surface Area 41.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 295.12085
Monoisotopic Mass 295.12085
Heavy Atoms 22
Complexity 444.0

Chemical Identifiers

CAS Number 3175-89-1
SMILES CN1CCC2=CC3=C(C4=C2[C@H]1[C@@H](C5=CC=CC=C54)O)OCO3
InChIKey NVMGTUCOAQKLLO-DLBZAZTESA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (1 patents)

Product Overview

Ushinsunine (CAS 3175-89-1), with molecular formula C18H17NO3 and molecular weight 295.12085 g/mol. IUPAC: (12S,13R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol.

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