monocrotaline

(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione

CAS: 315-22-0

Molecular Formula	`C16H23NO6`
Molecular Weight	325.36 g/mol
LogP	-0.7
Topological Polar Surface Area	96.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	0
Exact Mass	325.15253
Heavy Atoms	23
Complexity	575.0

Chemical Identifiers

CAS Number	315-22-0
SMILES	`CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O`
InChIKey	`QVCMHGGNRFRMAD-XFGHUUIASA-N`

📖 Product Overview

monocrotaline (CAS: 315-22-0) is a chemical compound with molecular formula C16H23NO6 and molecular weight 325.36 g/mol. Its IUPAC systematic name is (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione. LogP -0.7 Topological Polar Surface Area 96.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 0 Exact Mass 325.15253 Heavy Atoms 23 Complexity 575.0 InChI Key: QVCMHGGNRFRMAD-XFGHUUIASA-N. SMILES: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O.

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