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β-d-Glucopyranosiduronic acid, [3β,16α,21β(Z),22α]-22-(acetyloxy)-16,24,28-trihydroxy-21-[(2-methy…

CAS: 26339-90-2 - β-d-Glucopyranosiduronic acid, [3β,16α,21β(Z),22α]-22-(acetyloxy)-16,24,28-trihydroxy-21-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl O-β-d-glucopyranosyl-(1→2)-O-[β-d-glucopyranosyl-(1→4)]-

Formula:C55H86O24

InChI:InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1

InChI key:InChIKey=AXNVHPCVMSNXNP-OXPBSUTMSA-N

SMILES:O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(OC(=O)C(=CC)C)C(OC(=O)C)C6(CO)C(O)CC5(C)C4(C)CCC3C2(C)CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C1OC8OC(CO)C(O)C(O)C8O

  • Synonyms:
  • (3β,16α,21β,22α)-22-(acetyloxy)-16,24,28-trihydroxy-21-{[(2Z)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid
  • (3β,4β,16α,21β,22α)-22-(Acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)]-β-<smallcap>D</span>-glucopyranosiduronic acid
  • Aescin B
  • Olean-12-ene-16α,21β,22α,24,28-pentol, 3β-[(O-β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</smallcap>-glucopyranosyl-(1→4)]-β-<smallcap>D</span>-glucopyranuronosyl)oxy]-, 22-acetate 21-((Z)-2-methylcrotonate)
  • Oleanane, β-<span class="text-smallcaps">D</span>-glucopyranosiduronic acid deriv.
  • beta-D-Glucopyranosiduronic acid, (3beta,16alpha,21beta(Z),22alpha)-22-(acetyloxy)-16,24,28-trihydroxy-21-((2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl O-beta-D-glucopyranosyl-(1.2)-O-(beta-D-glucopyranosyl-(1.4))-
  • escin Ib
  • β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
  • β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-22-(acetyloxy)-16,23,28-trihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
  • β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, [3β,4β,16α,21β(Z),22α]-22-(acetyloxy)-16,23,28-trihydroxy-21-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
  • See more synonyms
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CAS:26339-90-2

Ref: IN-DA00BE5S

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Escin IB

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CAS:26339-90-2

Ref: 5G-80446

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CAS:26339-90-2

Ref: 3D-FE145234

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