Chem
J-GLOBAL ID：200907034049332426   Nikkaji number：J1.537.855G

Cordiaketal B

コルジアケタール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： C32H50O6
Molecular formula furigana： C32-H50-O6
Molecular weight： 530.746
InChI： InChI=1S/C32H50O6/c1-18-19(2)25(34)26(35)31(16-37-20(3)33)13-12-28(6)21(24(18)31)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-14-30(22,23)17-38-32/h8,18-19,22-26,34-36H,9-17H2,1-7H3/t18-,19-,22-,23-,24-,25+,26+,28+,29+,30+,31-,32-/m0/s1
InChI key： VNRFVSASQWQKLA-NEVYWUPCSA-N
SMILES： C[C@H]1[C@H](C)[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]2(COC(=O)C)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β,25-エポキシウルサ-12-エン-3,21β,22β,28-テトラオール28-アセタート
  • [(1S,2S,6S,7R,8S,9R,10S,11R,14S,15R,18R,20S)-9,10,20-トリヒドロキシ-7,8,14,15,19,19-ヘキサメチル-21-オキサヘキサシクロ[18.2.2.01,18.02,15.05,14.06,11]テトラコサ-4-エン-11-イル]メチル アセタート
  • [(1S,2S,6S,7R,8S,9R,10S,11R,14S,15R,18R,20S)-9,10,20-trihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-en-11-yl]methyl acetate
Other name (3)：
  • 3β,25-Epoxyurs-12-ene-3,21β,22β,28-tetrol 28-acetate
  • コルジアケタールB
  • Cordiaketal B
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM