Chem
J-GLOBAL ID:200907025686724010   Nikkaji number:J958.539G

Excavatolide C

エクスカバトリドC
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: C28H38O12
Molecular formula furigana: C28-H38-O12
Molecular weight: 566.600
InChI: InChI=1S/C28H38O12/c1-12-9-19(35-14(3)29)23(37-16(5)31)26(7)20(36-15(4)30)11-18(33)13(2)22(26)24(38-17(6)32)28-21(10-12)39-25(34)27(28,8)40-28/h10,13,18-24,33H,9,11H2,1-8H3/t13-,18-,19-,20-,21-,22+,23+,24+,26-,27-,28-/m0/s1
InChI key: MXIDZAWPMIVXFC-VWWVAXFGSA-N
SMILES: C[C@H]1[C@@H](O)C[C@H](OC(=O)C)[C@@]2(C)[C@H]1[C@@H](OC(=O)C)[C@]13O[C@@]1(C)C(=O)O[C@H]3C=C(C)C[C@H](OC(=O)C)[C@H]2OC(=O)C
Systematic name  (3):
  • (1R,3aS,7S,8S,8aR,9S,11S,12R,12aS,13R,13aS)-1,5,8a,12-テトラメチル-2-オキソ-1,2,6,7,8,8a,9,10,11,12,12a,13-ドデカヒドロ-3aH-1,13a-エポキシベンゾ[4,5]シクロデカ[1,2-b]フラン-7,8,9,11,13-ペンタオール7,8,9,13-テトラアセタート
  • (1S,2R,3S,4R,5S,7S,8R,9S,10S,14S,17R)-7,9,10-トリス(アセチルオキシ)-5-ヒドロキシ-4,8,12,17-テトラメチル-16-オキソ-15,18-ジオキサテトラシクロ[12.4.0.01,17.03,8]オクタデカ-12-エン-2-イル アセタート
  • (1S,2R,3S,4R,5S,7S,8R,9S,10S,14S,17R)-7,9,10-tris(acetyloxy)-5-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadec-12-en-2-yl acetate
Other name (3):
  • (1R,3aS,7S,8S,8aR,9S,11S,12R,12aS,13R,13aS)-1,5,8a,12-Tetramethyl-2-oxo-1,2,6,7,8,8a,9,10,11,12,12a,13-dodecahydro-3aH-1,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-7,8,9,11,13-pentol 7,8,9,13-tetraacetate
  • エクスカバトリドC
  • Excavatolide C
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