Chem
J-GLOBAL ID:200907004815503908   Nikkaji number:J1.210.610F

Alternoside XIV

アルテルノシドXIV
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: C53H84O21
Molecular formula furigana: C53-H84-O21
Molecular weight: 1057.234
InChI: InChI=1S/C53H84O21/c1-10-23(2)44(67)71-32-19-48(3,4)17-25-24-11-12-29-50(7)15-14-31(72-47-40(64)41(39(63)42(74-47)43(65)66)73-46-38(62)36(60)34(58)27(21-55)70-46)49(5,6)28(50)13-16-51(29,8)52(24,9)18-30(56)53(25,32)22-68-45-37(61)35(59)33(57)26(20-54)69-45/h10-11,25-42,45-47,54-64H,12-22H2,1-9H3,(H,65,66)/b23-10+/t25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40+,41-,42-,45+,46-,47+,50-,51+,52+,53-/m0/s1
InChI key: IDHZOQWGJSOFLR-CFRCEZGWSA-N
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-(3-O-β-D-グルコピラノシル-β-D-グルクロノピラノシルオキシ)-28-(β-D-グルコピラノシルオキシ)オレアナ-12-エン-16β,22α-ジオール22-[(E)-2-メチル-2-ブテノアート]
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-ヒドロキシ-4,4,6a,6b,11,11,14b-ヘプタメチル-9-{[(2E)-2-メチルブタ-2-エノイル]オキシ}-8a-({[(2R,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}メチル)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,5-ジヒドロキシ-4-{[(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-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2E)-2-methylbut-2-enoyl]oxy}-8a-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Other name (3):
  • 3β-(3-O-β-D-Glucopyranosyl-β-D-glucurono pyranosyloxy)-28-(β-D-glucopyranosyloxy)oleana-12-ene-16β,22α-diol 22-[(E)-2-methyl-2-butenoate]
  • アルテルノシドXIV
  • Alternoside XIV
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