Chem
J-GLOBAL ID：200907014920021450   Nikkaji number：J1.034.403D

3α-Acetoxy-12α,16β-dihydroxy-23-oxo-5α-eupha-7,24-diene-21,28-dioic acid 21,16-lactone

3α-アセトキシ-12α,16β-ジヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16-ラクトン
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： C32H44O8
Molecular formula furigana： C32-H44-O8
Molecular weight： 556.696
InChI： InChI=1S/C32H44O8/c1-16(2)12-18(34)13-19-26-22(40-27(19)36)15-30(5)20-8-9-23-29(4,21(20)14-24(35)32(26,30)7)11-10-25(39-17(3)33)31(23,6)28(37)38/h8,12,19,21-26,35H,9-11,13-15H2,1-7H3,(H,37,38)/t19-,21+,22+,23-,24+,25-,26-,29-,30-,31+,32+/m1/s1
InChI key： PGGDNFLHYMDIRS-QYWQWFLASA-N
SMILES： CC(=CC(=O)C[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(=O)C)[C@@]5(C)C(=O)O)[C@H]4C[C@H](O)[C@@]23C)OC1=O)C
Systematic name  (3)：
  • 3α-アセトキシ-12α,16β-ジヒドロキシ-23-オキソ-5α-オイファ-7,24-ジエン-21,28-二酸21,16-ラクトン
  • (2R,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(アセチルオキシ)-10-ヒドロキシ-2,9,13,17-テトラメチル-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-カルボン酸
  • (2R,4S,7R,8S,9S,10S,12R,13R,16R,17S,18R)-16-(acetyloxy)-10-hydroxy-2,9,13,17-tetramethyl-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-carboxylic acid
Other name (1)：
  • 3α-Acetoxy-12α,16β-dihydroxy-23-oxo-5α-eupha-7,24-diene-21,28-dioic acid 21,16-lactone
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM