Saikosaponin B3

CAS Registry Number®

58316-42-0

CAS Name

Saikosaponin B3

Molecular Formula

C43H72O14

Molecular Mass

813.02

Cite this Page

Saikosaponin B3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58316-42-0 (retrieved 2024-11-23) (CAS RN: 58316-42-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H72O14/c1-21-29(48)34(57-36-32(51)31(50)30(49)25(18-44)55-36)33(52)37(54-21)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35-,36+,37+,39+,40+,41-,42-,43-/m1/s1

InChIKey

InChIKey=GLQYFMRUYWFXGT-ZGFARVGISA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](CO)(C)[C@@H](O[C@H]4[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](C)O4)CC3)[H])([C@H](OC)C=C6[C@@]2(C)C[C@H](O)[C@]7(CO)[C@]6(CC(C)(C)CC7)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(C)C2O)OC3CCC4(C)C(CCC5(C)C4C(OC)C=C6C7CC(C)(C)CCC7(CO)C(O)CC65C)C3(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,4α,11α,16β)-16,23,28-trihydroxy-11-methoxyolean-12-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-
  • Oleanane, β-D-galactopyranoside deriv.
  • (3β,4α,11α,16β)-16,23,28-Trihydroxy-11-methoxyolean-12-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Saikosaponin B3

CAS INSIGHTSTM
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