(3R,4aS,6R,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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]benz[a]anthracene-1,7,12(2H)-trione

CAS Registry Number®

104562-12-1

CAS Name

(3R,4aS,6R,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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]benz[a]anthracene-1,7,12(2H)-trione

Molecular Formula

C43H58O18

Molecular Mass

862.91

Cite this Page

(3R,4aS,6R,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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]benz[a]anthracene-1,7,12(2H)-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104562-12-1 (retrieved 2024-11-25) (CAS RN: 104562-12-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26-,27+,28+,30-,31-,32-,36+,37+,41-,42-,43-/m0/s1

InChIKey

InChIKey=YYDWXWUQQJUOKE-WIDMLWBLSA-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@H](O)C[C@]1(O)C[C@@](C)(O)CC2=O)[C@@H]8O[C@@H](C)[C@@H](O)CC8

Canonical SMILES

O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C(O)CC4(O)CC(O)(C)CC(=O)C34OC5OC(C)C(O)CC5)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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (3R,4aS,6R,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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy]-, [3R-[3α,4aα,6β,12bα(2S*,5S*,6S*)]]-
  • (3R,4aS,6R,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,5,6,12b-hexahydro-3,4a,6,8-tetrahydroxy-3-methyl-12b-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]benz[a]anthracene-1,7,12(2H)-trione
  • Urdamycin F

CAS INSIGHTSTM
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