Spegatrine

Datasheet MSDS
Catalog Number
ANC00102
Product Name
Spegatrine
Structure
Spegatrine
CAS Number
47326-53-4
IUPAC Name
(1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
Molecular Formula
C20H25N2O2+
Molecular Weight
325.4
Appearance
Powder
Purity
98%
SMILES
C/C=C\1/C[N+]2([C@H]3C[C@H]1[C@H](C2CC4=C3NC5=C4C=C(C=C5)O)CO)C
InChI
InChI=1S/C20H24N2O2/c1-3-11-9-22(2)18-8-15-14-6-12(24)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/p+1/b11-3-/t13-,16-,18?,19+,22?/m1/s1
InChI Key
DOTYYDUNWITJSJ-SYMHJQAPSA-O
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