Concanamycin C
CAS Registry Number®
CAS Name
Concanamycin CMolecular Formula
C45H74O13Molecular Mass
823.06Cite this Page
Concanamycin C. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=81552-34-3 (retrieved ) (CAS RN: 81552-34-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H74O13/c1-13-16-34-28(7)37(56-38-22-33(46)42(50)31(10)55-38)23-45(52,58-34)30(9)41(49)29(8)43-35(53-11)18-15-17-24(3)19-26(5)39(47)32(14-2)40(48)27(6)20-25(4)21-36(54-12)44(51)57-43/h13,15-18,20-21,26-35,37-43,46-50,52H,14,19,22-23H2,1-12H3/b16-13+,18-15+,24-17+,25-20-,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,45-/m1/s1
InChIKey
InChIKey=XKYYLWWOGLVPOR-YSKCKECZSA-N
SMILES
[C@@H]([C@@H]([C@H](C)[C@@]1([C@@H](OC)/C=C/C=C(\C)/C[C@@H](C)[C@H](O)[C@H](CC)[C@H](O)[C@H](C)\C=C(\C)/C=C(\OC)/C(=O)O1)[H])O)(C)[C@@]2(O)C[C@@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)[C@H](C)[C@@H](/C=C/C)O2
Canonical SMILES
O=C1OC(C(OC)C=CC=C(C)CC(C)C(O)C(CC)C(O)C(C=C(C=C1OC)C)C)C(C)C(O)C(C)C2(O)OC(C=CC)C(C)C(OC3OC(C)C(O)C(O)C3)C2
Other Names for this Substance
- Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propen-1-yl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-
- Concanamycin A, 4′-O-de(aminocarbonyl)-
- Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propenyl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-
- Oxacyclooctadecane, concanamycin A deriv.
- (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[(2,6-Dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propen-1-yl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyloxacyclooctadeca-3,5,13,15-tetraen-2-one