Saikosaponin A

CAS Registry Number®

20736-09-8
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CAS Name

Saikosaponin A

Molecular Formula

C42H68O13

Molecular Mass

780.98

Cite this Page

Saikosaponin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20736-09-8 (retrieved 2024-05-17) (CAS RN: 20736-09-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,37+,38+,39-,40+,41-,42+/m1/s1

InChIKey

InChIKey=KYWSCMDFVARMPN-MSSMMRRTSA-N

SMILES

C[C@]12[C@@]3([C@]4([C@@](CO3)([C@@H](O)C1)CCC(C)(C)C4)[H])C=C[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@@H](C)O7)[C@]6(CO)C)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(OC(C)C2O)OC3CCC4(C)C5C=CC67OCC8(CCC(C)(C)CC68)C(O)CC7(C)C5(C)CCC4C3(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,4α,16β)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-
  • Saikosaponin A
  • Oleanane, β-D-galactopyranoside deriv.
  • (3β,4α,16β)-13,28-Epoxy-16,23-dihydroxyolean-11-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside
  • Salikosaponin A

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