(+)-Echimidine N-oxide

Catalog Number	ACM41093894
CAS Number	41093-89-4
Synonyms	(1R,7aR)-7-((((R)-2,3-Dihydroxy-2-((S)-1-hydroxyethyl)-3-methylbutanoyl)oxy)methyl)-1-(((Z)-2-methylbut-2-enoyl)oxy)-1,2,3,4,5,7a-hexahydropyrrolizine 4-oxide
Molecular Weight	413.5
InChI	InChI=1S/C20H31NO8/c1-6-12(2)17(23)29-15-8-10-21(27)9-7-14(16(15)21)11-28-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13,15-,16-,20,21/m1/s1
InChI Key	KDJGEXAPDZNXSD-VSXSYYALSA-N
Melting Point	164-165 °C
Purity	90%+
Complexity	730
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	413.20496695
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O)[O-]
Monoisotopic Mass	413.20496695
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	131 Ų

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