68603-42-9 Purity
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Specification
The molecular formula of Jacobine is C18H25NO6.
Jacobine is a natural product found in Crotalaria micans, Senecio brasiliensis, and other organisms.
The IUPAC name of Jacobine is (1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethylspiro[2,9-dioxa-14-azatricyclo[9.5.1.0 14,17 ]heptadec-11-ene-4,2'-oxirane]-3,8-dione.
The molecular weight of Jacobine is 351.4 g/mol.
The Canonical SMILES of Jacobine is CC1CC2(C(O2)C)C(=O)OC3CCN4C3C(=CC4)COC(=O)C1(C)O.
The InChIKey of Jacobine is IAPHXJRHXBQDQJ-WKMWQDDRSA-N.
The CAS number of Jacobine is 6870-67-3.
Jacobine has 7 hydrogen bond acceptors.
The topological polar surface area of Jacobine is 88.6 Ų.
The formal charge of Jacobine is 0.