Astragaloside III

CAS Registry Number®

84687-42-3
No image available.

CAS Name

Astragaloside III

Molecular Formula

C41H68O14

Molecular Mass

784.97

Cite this Page

Astragaloside III.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84687-42-3 (retrieved 2024-08-14) (CAS RN: 84687-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H68O14/c1-35(2)24(53-34-30(26(46)21(45)17-51-34)54-33-29(49)28(48)27(47)22(16-42)52-33)9-11-41-18-40(41)13-12-37(5)32(39(7)10-8-25(55-39)36(3,4)50)20(44)15-38(37,6)23(40)14-19(43)31(35)41/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1

InChIKey

InChIKey=FVFSMBDVZVUETN-BQAOMNQWSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@@]([C@@H](O)C3)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)CO6)CC5)[H])CC[C@]1(C)[C@]([C@@H](O)C2)([C@]8(C)O[C@H]([C@](C)(C)O)CC8)[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)COC2OC3CCC45CC65CCC7(C)C(C(O)CC7(C)C6CC(O)C4C3(C)C)C8(OC(CC8)C(O)(C)C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Xylopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,6α,16β,20R,24S)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside
  • Astragaloside III