Astragaloside IV

CAS Registry Number®

84687-43-4
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CAS Name

Astragaloside IV

Molecular Formula

C41H68O14

Molecular Mass

784.97

Cite this Page

Astragaloside IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=84687-43-4 (retrieved 2024-05-02) (CAS RN: 84687-43-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-286 °C

Source(s)

Other Names and Identifiers

InChI

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

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@@]([C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C3)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)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(OC2CC3C4(C)CC(O)C(C5(OC(CC5)C(O)(C)C)C)C4(C)CCC63CC76CCC(OC8OCC(O)C(O)C8O)C(C)(C)C27)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl
  • 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, β-D-glucopyranoside deriv.
  • 9,19-Cyclolanostane, β-D-glucopyranoside deriv.
  • (3β,6α,16β,20R,24S)-20,24-Epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl β-D-glucopyranoside
  • Astragaloside IV

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