Urdamycin A
CAS Registry Number®
CAS Name
Urdamycin AMolecular Formula
C43H56O17Molecular Mass
844.89Cite this Page
Urdamycin A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=98474-21-6 (retrieved ) (CAS RN: 98474-21-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1
InChIKey
InChIKey=FJSYXNOFZQFOAN-FXPMUEKOSA-N
SMILES
O([C@@]12C3=C(C(=O)C=4C(C3=O)=CC=C(C4O)[C@H]5C[C@@H](O[C@@H]6O[C@@H](C)[C@@H](O[C@H]7C[C@@H](O)[C@H](O)[C@@H](C)O7)CC6)[C@H](O)[C@@H](C)O5)C=C[C@]1(O)C[C@@](C)(O)CC2=O)[C@@H]8O[C@@H](C)[C@@H](O)CC8
Canonical SMILES
O=C1C=2C=CC3(O)CC(O)(C)CC(=O)C3(OC4OC(C)C(O)CC4)C2C(=O)C5=CC=C(C(O)=C15)C6OC(C)C(O)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8)CC7)C6
Other Names for this Substance
- Benz[a]anthracene-1,7,12(2H)-trione, 9-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3R,4aR,12bS)-
- Benz[a]anthracene-1,7,12(2H)-trione, 9-[2,6-dideoxy-3-O-[[2S-(2α,5β,6β)]-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-, [3R-[3α,4aα,12bα(2S*,5S*,6S*)]]-
- (3R,4aR,12bS)-9-[2,6-Dideoxy-3-O-[(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl]-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]benz[a]anthracene-1,7,12(2H)-trione
- Kerriamycin B
- Urdamycin A
Deleted or Replaced CAS Registry Numbers
104320-28-7