Bacoside A3[巴可甙A3]

CAS:157408-08-7

SKU： NCC.157408.08.7 分类：
保证安全结账

CAS Registry Number®

157408-08-7

CAS Name

Bacoside A3

Molecular Formula

C47H76O18

Molecular Mass

929.10

Other Names and Identifiers

InChI

InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,32+,33-,34+,35+,36-,37+,38-,39-,40-,41-,43-,44+,45-,46-,47-/m0/s1

InChIKey

InChIKey=CDEVGTJBRPBOPH-INTDMYAHSA-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]8O[C@@H](CO)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CCC6C7C(O)(C)CC(OC87OCC65C8)C=C(C)C)C3(C)C)C2OC9OC(CO)C(O)C9O)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-
  • (3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-α-L-arabinofuranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranoside
  • Bacoside A3

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