Concanamycin B
CAS Registry Number®
81552-33-2
No image available.
CAS Name
Concanamycin BMolecular Formula
C45H73NO14Molecular Mass
852.06Cite this Page
Concanamycin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81552-33-2 (retrieved ) (CAS RN: 81552-33-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19-,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
InChIKey
InChIKey=AQXXGIBOZQZSAT-FJVKMNJQSA-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](C)[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](OC(N)=O)[C@@H](C)O3)[C@H](C)[C@@H](/C=C/C)O2
Canonical SMILES
O=C(OC1C(O)CC(OC1C)OC2CC(O)(OC(C=CC)C2C)C(C)C(O)C(C)C3OC(=O)C(OC)=CC(=CC(C)C(O)C(C)C(O)C(C)CC(=CC=CC3OC)C)C)N
Other Names for this Substance
- Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(aminocarbonyl)-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]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-
- Concanamycin A, 8-deethyl-8-methyl-
- 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-[[4-O-(Aminocarbonyl)-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]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyloxacyclooctadeca-3,5,13,15-tetraen-2-one
- Concanamycin B
