Chem
J-GLOBAL ID：200907067519266765   Nikkaji number：J9.265G

Rubratoxin B

ルブラトキシンB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H30O11
Molecular formula furigana： C26-H30-O11
Molecular weight： 518.515
InChI： InChI=1S/C26H30O11/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/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3
InChI key： ZJTBTDVZNGBSNG-UHFFFAOYSA-N
SMILES： CCCCCCC(O)C1C(O)C2=C(CC(CC3=C1C(=O)OC3=O)C(O)C1CC=CC(=O)O1)C(=O)OC2=O
Systematic name  (3)：
  • (+)-10-[(3,6-ジヒドロ-6-オキソ-2H-ピラン-2-イル)ヒドロキシメチル]-5,9,10,11-テトラヒドロ-4-ヒドロキシ-5-(1-ヒドロキシヘプチル)-1H-シクロノナ[1,2-c:5,6-c′]ジフラン-1,3,6,8(4H)-テトラオン
  • 2-ヒドロキシ-10-[ヒドロキシ(6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル)メチル]-3-(1-ヒドロキシヘプチル)-6,14-ジオキサトリシクロ[10.3.0.04,8]ペンタデカ-1(12),4(8)-ジエン-5,7,13,15-テトラオン
  • 2-hydroxy-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-3-(1-hydroxyheptyl)-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
Other name (3)：
  • ルブラトキシンB
  • Rubratoxin B
  • (+)-10-[(3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c′]difuran-1,3,6,8(4H)-tetrone
CAS registry number： 21794-01-4
Regulation number (1)：
  • EINECS2445826
KEGG COMPOUND： C16767
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