Chem
J-GLOBAL ID：200907068261513530   Nikkaji number：J2.767.768A

Yiamoloside B

イアモロシド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： C43H68O15
Molecular formula furigana： C43-H68-O15
Molecular weight： 825.002
InChI： InChI=1S/C43H68O15/c1-38(2)25-10-13-42(6)26(9-8-21-22-18-39(3,37(53)54-7)14-16-43(22,36(51)52)17-15-41(21,42)5)40(25,4)12-11-27(38)57-34-32(50)30(48)33(24(20-45)56-34)58-35-31(49)29(47)28(46)23(19-44)55-35/h8,22-35,44-50H,9-20H2,1-7H3,(H,51,52)/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,35-,39+,40-,41+,42+,43-/m0/s1
InChI key： IDTIOCYBMWJUGJ-YAFARGPHSA-N
SMILES： COC(=O)[C@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3)：
  • 3β-[(4-O-β-D-ガラクトピラノシル-β-D-ガラクトピラノシル)オキシ]オレアナ-12-エン-28,29-二酸29-メチル
  • (2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5R,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,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}-2-(メトキシカルボニル)-2,6a,6b,9,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(methoxycarbonyl)-2,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • 3β-[(4-O-β-D-Galactopyranosyl-β-D-galactopyranosyl)oxy]oleana-12-ene-28,29-dioic acid 29-methyl ester
  • Yiamoloside B
  • イアモロシドB
CAS registry number： 80311-28-0
KEGG COMPOUND： C08990
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