Catalog Number
ACM303008813
Product Name
Pandamarilactonine b
Category
Heterocyclic Organic Compound
Molecular Formula
C18H23NO4
InChI
InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16+/m0/s1
InChI Key
HSICZNIIIPFAAO-VFPQPWSNSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
Isomeric SMILES
CC1=C[C@@H](OC1=O)[C@@H]2CCCN2CCC/C=C\3/C=C(C(=O)O3)C
Monoisotopic Mass
317.16270821
Topological Polar Surface Area
55.8 Ų