(3β)-3-[(6-Deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide

CAS Registry Number®

33396-37-1

CAS Name

(3β)-3-[(6-Deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide

Molecular Formula

C31H44O8

Molecular Mass

544.68

Cite this Page

(3β)-3-[(6-Deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33396-37-1 (retrieved 2024-11-22) (CAS RN: 33396-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213-217 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3/t17-,20-,21+,22-,23+,25-,26+,27-,28-,29-,30+,31-/m0/s1

InChIKey

InChIKey=RKWPZPDLTYBKCL-RVZGXXANSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](OC)[C@H](C)O5)CC4)(CC[C@]1(C)[C@H](CC2)C=6C=CC(=O)OC6)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(OC)C(O)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Bufa-4,20,22-trienolide, 3-[(6-deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxy-, (3β)-
  • Bufa-4,20,22-trienolide, 3β-[(6-deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxy-
  • (3β)-3-[(6-Deoxy-4-O-methyl-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide
  • Proscillaridin 4-methyl ether
  • Methyl proscillaridin

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