(1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide

CAS Registry Number®

98205-50-6

CAS Name

(1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide

Molecular Formula

C26H30O9

Molecular Mass

486.51

Cite this Page

(1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98205-50-6 (retrieved 2024-11-24) (CAS RN: 98205-50-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H30O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11-12,14-17,19-20,29,31H,5-10H2,1-2H3/t14-,15+,16+,17+,19+,20-,22-,23+,24-,25+,26-/m0/s1

InChIKey

InChIKey=PHOLEJIIASOWOL-XOGNUPMYSA-N

SMILES

C(=O)[C@@]12[C@]3(O[C@@]4(C)O[C@@]1(C[C@@](C3)(O4)[H])[H])CC[C@@]5([C@@]2([C@H](O)C(=O)[C@@]6(C)[C@]5(O)CC[C@@H]6C=7C=CC(=O)OC7)[H])[H]

Canonical SMILES

O=CC12C3OC4(OC(C3)CC2(O4)CCC5C1C(O)C(=O)C6(C)C(C7=COC(=O)C=C7)CCC56O)C

Other Names for this Substance

  • Bufa-20,22-dienolide, 1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, (1β,3β,5β,11α)-
  • Bufa-20,22-dienolide, 1,3,5-[ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, [1β(R),3β,5β,11α]-
  • (1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide
  • Daigremontianin

CAS INSIGHTSTM
Hourglass and a clock