ML 236C

(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one

Also Known As: ML 236C|ML-236C|Antibiotic ML 236C|J1.555.927F|(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one|6-(2-(1,2,6,7,8,8a-Hexahydro-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one|(4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}oxan-2-one|2H-Pyran-2-one, 6-(2-(1,2,6,7,8,8a-hexahydro-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-, (1S-(1-alpha(4S*,6S*),2-alpha,8a-alpha))-|4-hydroxy-6-(2-(2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)oxan-2-one|(4R)-4alpha-Hydroxy-6beta-[2-[(1S)-2beta-methyl-1,2,6,7,8,8abeta-hexahydronaphthalene-1beta-yl]ethyl]tetrahydro-2H-pyran-2-one|(4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one|(4R,6R)-6-(2-((1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-4-hydroxy-tetrahydropyran-2-one|(4R,6R)-6-{2-[(1S,2S,8AR)-2-METHYL-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL]ETHYL}-4-HYDROXYOXAN-2-ONE

Molecular Formula	C18H26O3
Molecular Weight	290.1882 g/mol
LogP	3.2
Topological Polar Surface Area	46.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	290.1882
Monoisotopic Mass	290.1882
Heavy Atoms	21
Complexity	451.0

Chemical Identifiers

CAS Number	58889-18-2
SMILES	C[C@H]1C=CC2=CCCC[C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O
InChIKey	NXIASLUNMKAUTN-WFKFIOEPSA-N