Jacobine N-oxide

Catalog Number	ACM38710257
CAS Number	38710-25-7
Structure
Molecular Weight	367.4
InChI	InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18,19/m1/s1
InChI Key	NKRQJWQYBNTAEV-RPYPHQRPSA-N
Purity	90%+
Complexity	693
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	367.16310214
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1CC2([C@@H](O2)C)C(=O)O[C@@H]3CC[N+]4([C@@H]3C(=CC4)COC(=O)[C@]1(C)O)[O-]
Monoisotopic Mass	367.16310214
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	103 Ų

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