Catalog Number
ACM22571955
Category
Heterocyclic Organic Compound
Synonyms
7-Tiglylretronecine viridiflorate
IUPAC Name
[(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Molecular Formula
C20H31NO6
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16+,17+,20-/m0/s1
InChI Key
MVWPTZQHBOWRTF-SMLWLWDZSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
2
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O
Monoisotopic Mass
381.21513771
Topological Polar Surface Area
96.3 Ų