Chem
J-GLOBAL ID：200907071487235517   Nikkaji number：J1.463.704D

Madlongiside A

マドロンギシド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： C35H54O10
Molecular formula furigana： C35-H54-O10
Molecular weight： 634.807
InChI： InChI=1S/C35H54O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-20,22-28,36-37,39-42H,8-17H2,1-6H3/t19-,20+,22-,23+,24-,25+,26+,27-,28-,31+,32-,33+,34+,35-/m0/s1
InChI key： DMHZAJKTZWTGSC-HYOIHTSTSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β,6β,23-トリヒドロキシ-2-オキソオレアナ-12-エン-28-酸α-L-アラビノピラノシル
  • (2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-2-イル (4aS,6aS,6bR,8R,8aR,9R,10R,12aR,12bR,14bS)-8,10-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-11-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-4a-カルボキシラート
  • (2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8R,8aR,9R,10R,12aR,12bR,14bS)-8,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • 3β,6β,23-Trihydroxy-2-oxooleana-12-ene-28-oic acid α-L-arabinopyranosyl ester
  • マドロンギシドA
  • Madlongiside A
CAS registry number： 312959-40-3
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