Chem
J-GLOBAL ID：200907007783206921   Nikkaji number：J1.169.527B

Macedonoside A

マセドノシド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： C42H66O15
Molecular formula furigana： C42-H66-O15
Molecular weight： 810.975
InChI： InChI=1S/C42H66O15/c1-37(2)24-8-11-42(7)33(21(45)14-19-20-15-40(5,36(52)53)25(46)16-38(20,3)12-13-41(19,42)6)39(24,4)10-9-26(37)56-35-32(30(50)28(48)23(18-44)55-35)57-34-31(51)29(49)27(47)22(17-43)54-34/h14,20,22-35,43-44,46-51H,8-13,15-18H2,1-7H3,(H,52,53)/t20-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-,35-,38-,39-,40-,41+,42+/m0/s1
InChI key： HFROAAMLLPQSFZ-VLNXZLOISA-N
SMILES： CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)([C@H](O)C[C@]3(C)CC[C@@]12C)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[(2-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-11-オキソ-21α-ヒドロキシオレアナ-12-エン-29-酸
  • (2S,3R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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]オキシ}オキサン-2-イル]オキシ}-3-ヒドロキシ-2,4a,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-2-カルボン酸
  • (2S,3R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
Other name (3)：
  • 3β-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-11-oxo-21α-hydroxyoleana-12-ene-29-oic acid
  • マセドノシドA
  • Macedonoside A
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM