Catalog Number
ACM87340270
Product Name
Triangularine
Category
Heterocyclic Organic Compound
Synonyms
CID6440796, C10410, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-, 87340-27-0, 87392-67-4
IUPAC Name
[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
Molecular Formula
C18H25NO5
InChI
InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1
InChI Key
GOENJWUGVSLZDQ-NCLHDQKXSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
1
Isomeric SMILES
C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO
Monoisotopic Mass
335.1732729
Topological Polar Surface Area
76.1 Ų