Lasalocid A

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Systematic / IUPAC Name: 6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid

ID: Reference1309

Other Names: Avatec;
Lasalocid;
(2R-{2α[2S*(3R*,4S*,5S*,7R*)3S*,5S*],5α,6β})-6-{7-[5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-3-methylsalicylic acid ;
2,3-Cresotic acid, 6-{7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-, (-)- ;
6-{7-[5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoic acid (2R-{2α[2S*(3R*,4S*,5S*,7R*),3S*,5S*],5α,6β})- ; more

Formula: C34H54O8

Class: Therapeutics/Prescription Drugs

Spectral Data

Lasalocid A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 525
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 10:10:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
InChI Key BBMULGJBVDDDNI-OWKLGTHSSA-N
Canonical SMILES CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)O)C(=O)O)O
CAS 25999319
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Other Names Avatec;
Lasalocid;
(2R-{2α[2S*(3R*,4S*,5S*,7R*)3S*,5S*],5α,6β})-6-{7-[5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-3-methylsalicylic acid ;
2,3-Cresotic acid, 6-{7-[5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-, (-)- ;
6-{7-[5-Ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoic acid (2R-{2α[2S*(3R*,4S*,5S*,7R*),3S*,5S*],5α,6β})- ;
6-{7-[(5S)-5-((6S,5R)-5-Ethyl-5-hydroxy-6-methylperhydro-2H-pyran-2-yl)-5-ethyl-3-methyloxolan-2-yl](4S,5S,3R,7R)-4-hydroxy-3,5-dimethyl-6-oxononyl}-2-hydroxy-3-methylbenzoic acid ;
Benzoic acid, 6-((3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-3-methyl-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-

In Other Databases

ChEMBL CHEMBL145347
Wikipedia Lasalocid
PubChem 5360807
ChemIDPlus 025999319
ChemSpider 4514598
KEGG D04671