Chem
J-GLOBAL ID：200907060776553029   Nikkaji number：J1.034.404B

3α,30-Diacetoxy-12α-hydroxy-21,23-dioxo-16β,21-epoxy-5α-eupha-7,24-diene-28-oic acid β-D-glucopyranosyl ester

3α,30-ジアセトキシ-12α-ヒドロキシ-21,23-ジオキソ-16β,21-エポキシ-5α-オイファ-7,24-ジエン-28-酸β-D-グルコピラノシル
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： C40H56O15
Molecular formula furigana： C40-H56-O15
Molecular weight： 776.873
InChI： InChI=1S/C40H56O15/c1-18(2)12-21(44)13-22-30-25(53-34(22)49)15-40(17-51-19(3)42)23-8-9-27-37(5,24(23)14-28(45)39(30,40)7)11-10-29(52-20(4)43)38(27,6)36(50)55-35-33(48)32(47)31(46)26(16-41)54-35/h8,12,22,24-33,35,41,45-48H,9-11,13-17H2,1-7H3/t22-,24+,25+,26-,27-,28+,29-,30-,31-,32+,33-,35+,37-,38+,39+,40+/m1/s1
InChI key： CNBPSPDNZJNBAZ-RWOCPONYSA-N
SMILES： CC(=O)OC[C@]12C[C@@H]3OC(=O)[C@H](CC(=O)C=C(C)C)[C@H]3[C@]1(C)[C@@H](O)C[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](OC(=O)C)[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3α,30-ジアセトキシ-12α-ヒドロキシ-21,23-ジオキソ-16β,21-エポキシ-5α-オイファ-7,24-ジエン-28-酸β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(アセチルオキシ)-2-[(アセチルオキシ)メチル]-10-ヒドロキシ-9,13,17-トリメチル-7-(4-メチル-2-オキソペンタ-3-エン-1-イル)-6-オキソ-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-1(20)-エン-17-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-17-carboxylate
Other name (1)：
  • 3α,30-Diacetoxy-12α-hydroxy-21,23-dioxo-16β,21-epoxy-5α-eupha-7,24-diene-28-oic acid β-D-glucopyranosyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM