Phenelfamycin E

Molecular Formula: C65H95NO21


InChI: InChI=1/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40+,41+,42+,44u,45+,46+,47?,48+,49+,50-,51-,54+,55+,56-,57-,58?,59?,60+,61-,62+,65+/m0/s1/f/h66,68H

InChIKey: InChIKey=UDVVGDCMWCVRCO-WLWJKGRGDF
SMILES: CC=CC=CC1C(C(C(C(O1)(C(COC2CC(C(C(O2)C)OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)OC)OC)OC)C(=O)NCC=CC=C(C)C(C(C)C5CC(C(O5)C=CC=CC=CC(=O)O)O)OC)O)OC(=O)CC6=CC=CC=C6)O)(C)C

Names:
    Ganefromycin component (alpha)
    Ganefromycin (alpha component) (beta component has 4-phenylacetate; CAS 114451-30-8)
    Phenelfamycin E
    (2E,4E,6E)-7-((2R*,3R*,5R*)-5-(7-((3E,5E)-3-((O-2,6-Dideoxy-3-O-methyl-alpha-lyxo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-beta-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-alpha-lyxo-hexopyranosyl)oxy)-2-((2S*,3S*,4S*,6R*)-tetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-((1E,3Z)-1,3-pentadienyl)-2H-pyran-2-yl)propionamido)-2-methoxy-1,3-dimethyl-3,5-heptadienyl)tetrahydro-3-hydroxy-2-furyl)-2,4,6-heptatrienoic acid, 2(sup 3)-phenylacetate
    (2E,4E,6E)-7-[(2R,3R)-5-[(2R,4E,6E)-8-[[2-[(2R,3R,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxy-oxan-2-yl]-3-[(2R,4R,6R)-5-[(2R,4S,5S,6R)-5-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-propanoyl]amino]-3-methoxy-4-methyl-octa-4,6-dien-2-yl]-3-hydroxy-oxolan-2-yl]hepta-2,4,6-trienoic acid
    114451-31-9

Registries:
    PubChem CID 6436166
    PubChem ID 214305