CAS: 26339-92-4 - Desacylescin I

Formula: C₄₈H₇₈O₂₂

InChI: InChI=1S/C48H78O22/c1-43(2)13-20-19-7-8-24-44(3)11-10-26(45(4,17-51)23(44)9-12-46(24,5)47(19,6)14-25(53)48(20,18-52)38(62)37(43)61)67-42-35(69-41-32(59)30(57)28(55)22(16-50)66-41)33(60)34(36(70-42)39(63)64)68-40-31(58)29(56)27(54)21(15-49)65-40/h7,20-38,40-42,49-62H,8-18H2,1-6H3,(H,63,64)/t20-,21+,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,40-,41-,42+,44-,45+,46+,47+,48-/m0/s1

InChI key: InChIKey=TWYGNCHWUKMUKE-YYXJHCSDSA-N

SMILES: O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)C(O)C(O)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,4β,16α,21β,22α)-16,21,22,23,28-Pentahydroxyolean-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
• Aesculuside B
• AesculusideB
• Desacylescin I
• β-<span class="text-smallcaps">D</smallcap>-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-β-<smallcap>D</smallcap>-glucopyranosyl-(1→2)-O-[β-<smallcap>D</span>-glucopyranosyl-(1→4)]-
• β-D-Glucopyranosiduronic acid, (3β,4β,16α,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-
• (3β,4β,16α,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosiduronic acid

Aesculuside B (Desacylescin I)

CAS: 26339-92-4

• Formula: C₄₈H₇₈O₂₂
• Molecular weight: 1007.13

Aesculuside B

CAS: 26339-92-4

Applications Aesculuside B is an antiinflammatory triterpenoid saponin isolated from the seeds of Aesculus chinensis. …

• Formula: C₄₈H₇₈O₂₂
• Color and Shape: Neat
• Molecular weight: 1007.12