Phenelfamycin E

cas: 114451-31-9 — see every product listed under this CAS number, including other names

Phenelfamycin E (CAS 114451-31-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, Get quote. Offered by: GLPBio, MedChemExpress.

brandGLPBio
catalog numberGC44622-1
cas114451-31-9
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 2328.82 Pln
GLPBio 5mg 9045.34 Pln
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(2E,4E,6E)-7-[(2S,3S,5R)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid (CAS 114451-31-9) is a chemical compound with the molecular formula C65H95NO21 and a molecular weight of 1226.4 g/mol. IUPAC name: (2E,4E,6E)-7-[(2S,3S,5R)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid. InChIKey: UDVVGDCMWCVRCO-DPXDKDKUSA-N.

Identity
Molecular formulaC65H95NO21
Molecular weight1226.4 g/mol
IUPAC name(2E,4E,6E)-7-[(2S,3S,5R)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
InChIKeyUDVVGDCMWCVRCO-DPXDKDKUSA-N
SMILESC/C=C\C=C\[C@H]1C([C@H]([C@H]([C@](O1)([C@H](CO[C@H]2C[C@H]([C@H]([C@H](O2)C)O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)OC)OC)C(=O)NC/C=C/C=C(\C)/[C@H]([C@H](C)[C@H]5C[C@@H]([C@@H](O5)/C=C/C=C/C=C/C(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C

Computed by PubChem (NCBI)

Synonyms: Phenelfamycin E, LL-E 19020alpha, LL-E 19020 alpha
Isomers (same molecular formula)
(2Z,4E,6E)-7-[(2R,3S,5S)-5-[(2S,3R,4E,6E)-8-[[(2S)-2-[(2R,3S,4R,6S)-2,3-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]-4-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4S,5R,6S)-5-[(2R,4S,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid C65H95NO21

Also listed as

Phenelfamycin E MedChemExpress CAS 114451-31-9