Saikosaponin bk1

CAS Registry Number®

110352-77-7
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CAS Name

Saikosaponin bk1

Molecular Formula

C48H78O17

Molecular Mass

927.12

Cite this Page

Saikosaponin bk1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110352-77-7 (retrieved 2024-09-19) (CAS RN: 110352-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H78O17/c1-22-31(52)33(54)37(58)41(61-22)65-39-26(20-60-40-36(57)34(55)32(53)25(19-49)62-40)63-42(38(59)35(39)56)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-23-24-17-43(2,3)15-16-48(24,21-50)29(51)18-47(23,46)8/h9-10,22,25-42,49-59H,11-21H2,1-8H3/t22-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,45-,46+,47+,48+/m0/s1

InChIKey

InChIKey=PYJMYPPFWASOJX-YSNVVKQWSA-N

SMILES

C[C@]12C(=C3[C@@](CO)([C@H](O)C1)CCC(C)(C)C3)C=C[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](O)[C@H]6O)C5(C)C)[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC3CCC4(C)C5C=CC6=C7CC(C)(C)CCC7(CO)C(O)CC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C2OC8OC(C)C(O)C(O)C8O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,16α)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-
  • (3β,16α)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranoside
  • Saikosaponin bk1