Chem
J-GLOBAL ID：200907068622229157   Nikkaji number：J1.169.528K

Macedonoside B

マセドノシドB
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/c1-37-13-14-41(5)20(21(37)15-39(3,36(52)53)26(46)16-37)7-8-25-38(2)11-10-27(40(4,19-45)24(38)9-12-42(25,41)6)56-35-33(31(50)29(48)23(18-44)55-35)57-34-32(51)30(49)28(47)22(17-43)54-34/h7-8,22-35,43-51H,9-19H2,1-6H3,(H,52,53)/t22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-,41-,42-/m1/s1
InChI key： MSVWRQAHPWDSIH-UCCRAKQLSA-N
SMILES： C[C@@]12CC[C@]3(C)C(=C1C[C@@](C)([C@H](O)C2)C(=O)O)C=C[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@](C)(CO)[C@@H]2CC[C@@]31C
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]-21α,24-ジヒドロキシオレアナ-11,13(18)-ジエン-29-酸
  • (2S,3R,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR)-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-9-(ヒドロキシメチル)-2,4a,6a,6b,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-オクタデカヒドロピセン-2-カルボン酸
  • (2S,3R,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR)-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-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-2-carboxylic acid
Other name (3)：
  • 3β-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-21α,24-dihydroxyoleana-11,13(18)-diene-29-oic acid
  • マセドノシドB
  • Macedonoside B
Thsaurus map：
Thesaurus Map

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