(4R,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione | CAS No. 22467-31-8

Basic Information

(4R,5S,10S)-4,8-Dihydroxy-5-[(1R)-1-hydroxyheptyl]-10-{(S)-hydroxy[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]methyl}-4,5,8,9,10,11-hexahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6-trione

CAS Number

22467-31-8

Molecular Formula

C26H32O11

Molecular Weight

520.53 g/mol

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Basic Physical Properties

SMILES

CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O

InChI

InChI=1S/C26H32O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-23,27,29-31H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-,23?/m0/s1

InChIKey

XOEFANNJIKAWGX-RRIJHKHGSA-N

LogP

0.48919999999999947

Topological Polar Surface Area

176.89 Ų

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

1050

Classification & Uses

Safety Information

Synonyms & References

English

  • 22467-31-8
  • RUBRATOXIN A
  • 3,13-Dihydroxy-2-(1-hydroxyheptyl)-10-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,15-trione
  • NS00126675
  • 4,8-dihydroxy-10-(hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl)-5-(1-hydroxyheptyl)-4,5,8,9,10,11-hexahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione
  • CID 31181
  • 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-4,5,8,9,10,11-hexahydro-4,8-dihydroxy-5-[(1S)-1-hydroxyheptyl]-,(4S,5R,10R)-rel- (9CI)
  • 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6-trione,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-4,5,8,9,10,11-hex
  • 1,5-Dihydroxy-3-methyl-anthrachinon
  • 1,5-dihydroxy-3-methyl-anthraquinone
  • 1,5-Dihydroxy-3-methylanthraquinone
  • 1,5-dihydroxy-4-(1-hydroxy-heptyl)-9-[hydroxy-(6-oxo-3,6-dihydro-2H-pyran-2-yl)-methyl]-3-oxo-3,4,5,8,9,10-hexahydro-1H-cyclonona[c]furan-6,7-dicarboxylic acid anhydride
  • AC1NSUOY
  • CTK8H6260
  • 9-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3,4,5,8,9,10-hexahydro-1,5-dihydroxy-4-(1-hydroxyheptyl)-3-oxo-1H-cyclonona[c]furan-6,7-dicarboxylic anhydride

MDL_Number

MFCD01735286

CAS Number

22467-31-8

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Shanghai Jieshukai Biotechnology Co., Ltd.
ChinaChina - Shanghai Hansi Chemical Co., Ltd.
ChinaChina - Shanghai Jixiang Biotechnology Co., Ltd.
ChinaChina - Shanghai Yuansi Biotechnology Co., Ltd.
ChinaChina - Shanghai Aladdin Bio-Technologies Co., Ltd.