Saikosaponin B1

CAS Registry Number®

58558-08-0

CAS Name

Saikosaponin B1

Molecular Formula

C42H68O13

Molecular Mass

780.98

Cite this Page

Saikosaponin B1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58558-08-0 (retrieved 2024-11-22) (CAS RN: 58558-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1

InChIKey

InChIKey=WRYJYFCCMSVEPQ-MNIDVGFKSA-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]6[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@@H](C)O6)[C@]5(CO)C)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(C)C2O)OC3CCC4(C)C5C=CC6=C7CC(C)(C)CCC7(CO)C(O)CC6(C)C5(C)CCC4C3(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,4α,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-
  • (3β,4α,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Saikosaponin B1

CAS INSIGHTSTM
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