Jaconine hydrochloride

(1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride

CAS: 7251-11-8

Molecular Formula	`C18H27Cl2NO6`
Molecular Weight	424.3 g/mol
Topological Polar Surface Area	96.3 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	423.12155
Heavy Atoms	27
Complexity	639.0

Chemical Identifiers

CAS Number	7251-11-8
SMILES	`CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)Cl)O.Cl`
InChIKey	`AOFLJXYFSXFMOL-MRXAPZQLSA-N`

📖 Product Overview

Jaconine hydrochloride (CAS: 7251-11-8) is a chemical compound with molecular formula C18H27Cl2NO6 and molecular weight 424.3 g/mol. Its IUPAC systematic name is (1R,4R,6R,7R,17R)-4-(1-chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione;hydrochloride. Topological Polar Surface Area 96.3 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 423.12155 Heavy Atoms 27 Complexity 639.0 InChI Key: AOFLJXYFSXFMOL-MRXAPZQLSA-N. SMILES: CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)Cl)O.Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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