orb3024397 structure

orb3024397

[6-[6-[[7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

CAS: 35908-45-3
Molecular Formula C42H69NO16
Molecular Weight 843.4616 g/mol
LogP 1.8
Topological Polar Surface Area 219.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 17
Rotatable Bonds 14
Exact Mass 843.4616
Monoisotopic Mass 843.4616
Heavy Atoms 59
Complexity 1430.0

Chemical Identifiers

CAS Number 35908-45-3
SMILES CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O
InChIKey WCTOMQRJHZLNHJ-UHFFFAOYSA-N

Product Overview

orb3024397 (CAS 35908-45-3), with molecular formula C42H69NO16 and molecular weight 843.4616 g/mol. IUPAC: [6-[6-[[7-acetyloxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.

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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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