Jujuboside B[酸枣仁苷B]

CAS:55466-05-2

SKU： NCC.55466.05.2 分类：
保证安全结账

CAS Registry Number®

55466-05-2

CAS Name

Jujuboside B

Molecular Formula

C52H84O21

Molecular Mass

1045.21

Compound Properties

  • Melting Point (1)

    228-231 °C

Source(s)

  • (1) Bai, Yanjing; Yaoxue Xuebao, (2003), 38(12), 934-937, CAplus

Other Names and Identifiers

InChI

InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1

InChIKey

InChIKey=OAVAUZCEOWCYCC-QEOGCQCLSA-N

SMILES

C[C@]12[C@@]34[C@@]([C@@]5([C@@](C3)(OC4)O[C@@H](C=C(C)C)C[C@]5(C)O)[H])(CC[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)CO7)CC6)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CCC6C7C(O)(C)CC(OC87OCC65C8)C=C(C)C)C3(C)C)C2OC9OC(C)C(O)C(O)C9O)C(OC%10OCC(O)C(O)C%10O)C(O)C1O

Other Names for this Substance

  • α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-
  • (3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside
  • Jujuboside B

相关产品

滚动至顶部