Megastachine structure

Megastachine

(1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one

Also Known As: Megastachine|J2.771.291F|(1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one|(4R,6R,7aR,7bR,10R,10aS,10bR,10cR)-1,2,3,6,7,7a,7b,10,10a,10b-Decahydro-10-[(1R)-1-hydroxyethyl]-6-methyl-4,10c-propano-9H-furo[2 ,3 :4,5]cyclopenta[1,2,3-ef][1]benzoazepine-9-one|(6R,7aR,7bR,10R,10aS,10bR,10cR)-10-[(1R)-1-Hydroxyethyl]-6-methyl-1,2,3,6,7,7a,7b,10,10a,10b-decahydro-9H-4,10c-propanofuro[3',2':2,3]indeno[7,1-bc]azepin-9-one

CAS: 72049-07-1
Molecular Formula C20H29NO3
Molecular Weight 331.21475 g/mol
LogP 3.2
Topological Polar Surface Area 49.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 331.21475
Monoisotopic Mass 331.21475
Heavy Atoms 24
Complexity 602.0

Chemical Identifiers

CAS Number 72049-07-1
SMILES C[C@@H]1C[C@H]2[C@H]3[C@@H]([C@@H]4[C@]25CCCN(C5=C1)CCC4)[C@@H](C(=O)O3)[C@@H](C)O
InChIKey PONWUQDRLFXKSM-GSNPUYSQSA-N

Product Overview

Megastachine (CAS 72049-07-1), with molecular formula C20H29NO3 and molecular weight 331.21475 g/mol. IUPAC: (1R,4R,6R,7R,10R,11S,12R)-10-[(1R)-1-hydroxyethyl]-4-methyl-8-oxa-16-azapentacyclo[10.7.0.01,6.02,16.07,11]nonadec-2-en-9-one.

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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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