Symlandine

Catalog Number	ACM74410745
CAS Number	74410-74-5
Synonyms	(Z)-2-Methyl-2-butenoic acid (1R)-7-[[(2S,3S)-2,3-dihydroxy-2-isopropyl-1-oxobutoxy]methyl]-2,3,5,7aβ-tetrahydro-1H-pyrrolizin-1α-yl ester
Molecular Weight	381.5
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-QKJMJVMDSA-N
Purity	95%+
Complexity	640
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	381.21513771
Heavy Atom Count	27
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
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	96.3 Ų

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