Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-

CAS Registry Number®

93771-82-5
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CAS Name

Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-

Molecular Formula

C32H44O12

Molecular Mass

620.68

Cite this Page

Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93771-82-5 (retrieved 2024-09-21) (CAS RN: 93771-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H44O12/c1-17(34)25(37)26(38)27(39)28(40)43-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(36)42-15-19)9-13-32(29,41)23(22)8-12-31(30,14-20)44-18(2)35/h4-5,15-17,20-23,25-27,34,37-39,41H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,29+,30-,31-,32-/m0/s1

InChIKey

InChIKey=IDZGCABQJKWSHL-GSMIIGJLSA-N

SMILES

C(=O)[C@]12[C@](OC(C)=O)(CC[C@@]3([C@@]1(CC[C@@]4(C)[C@]3(O)CC[C@@H]4C=5C=CC(=O)OC5)[H])[H])C[C@@H](OC([C@@H]([C@@H]([C@H]([C@H](C)O)O)O)O)=O)CC2

Canonical SMILES

O=CC12CCC(OC(=O)C(O)C(O)C(O)C(O)C)CC2(OC(=O)C)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O

Other Names for this Substance

  • Bufa-20,22-dienolide, 5-(acetyloxy)-3-[(6-deoxy-L-mannonoyl)oxy]-14-hydroxy-19-oxo-, (3β,5β)-
  • Lanceotoxin A