Allo-yohimbine

Catalog Number	ACM522941
CAS Number	522-94-1
Synonyms	(20α)-17α-Hydroxyyohimban-16α-carboxylic acid methyl ester
Molecular Weight	354.4
InChI	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1
InChI Key	BLGXFZZNTVWLAY-FJDMERLMSA-N
Purity	95%+
Complexity	555
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	354.1943427
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	COC(=O)[C@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
Monoisotopic Mass	354.1943427
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	65.6 Ų

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