Chem
J-GLOBAL ID：200907007544949882   Nikkaji number：J1.934.836I

Taccalonolide A

タッカロノリドA
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： C36H46O14
Molecular formula furigana： C36-H46-O14
Molecular weight： 702.750
InChI： InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24-,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1
InChI key： PTTJLTMUKRRHAT-FUNDLAJWSA-N
SMILES： C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@H]2[C@H](OC(=O)C)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(=O)C)[C@]5(C)[C@H]4[C@H](OC(=O)C)[C@H](OC(=O)C)[C@]3(C)[C@@H]12
Systematic name  (4)：
  • (25S)-1α,11α,12α,15α-テトラキス(アセチルオキシ)-6-オキソ-7β,23,25-トリヒドロキシ-2α,3α-エポキシ-16β,24β-シクロ-5α-エルゴスタ-22-エン-26-酸γ-ラクトン
  • (25S)-1α,11α,12α,15α-テトラアセトキシ-2α,3α-エポキシ-7β,23,25-トリヒドロキシ-6-オキソ-16β,24β-シクロ-5α-エルゴスタ-22-エン-26-酸γ-ラクトン
  • (1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24S,25R)-13,14,25-トリス(アセチルオキシ)-3,22-ジヒドロキシ-11,15,17,22,23-ペンタメチル-4,21-ジオキソ-8,20-ジオキサヘプタシクロ[13.10.0.02,12.05,11.07,9.016,24.019,23]ペンタコサ-18-エン-10-イル アセタート
  • (1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24S,25R)-13,14,25-tris(acetyloxy)-3,22-dihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-10-yl acetate
Other name (6)：
  • (25S)-1α,11α,12α,15α-Tetrakis(acetyloxy)-6-oxo-7β,23,25-trihydroxy-2α,3α-epoxy-16β,24β-cyclo-5α-ergosta-22-ene-26-oic acid γ-lactone
  • タッカロノリドA
  • Taccalonolide A
  • (25S)-1α,11α,12α,15α-Tetraacetoxy-2α,3α-epoxy-7β,23,25-trihydroxy-6-oxo-16β,24β-cyclo-5α-ergosta-22-ene-26-oic acid γ-lactone
  • 15-アセチルタッカロノリドB
Show all
KEGG COMPOUND： C08635
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM