Gamabufotalin

C24H34O5CAS 465-11-2402.53 g/mol

Open in Covalent MOL file
OHOHOOOH
Alcohol

Properties

Molecular formula
C24H34O5
Molar mass
402.53 g/mol
Exact mass
402.2406 Da
Melting point
254 °C
logP
3.21Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1
Stereocentres
S, S, R, R, S, R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
465-11-2
SMILES
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
InChIKey
FMTLOAVOGWSPEF-KJRPADTMSA-N
InChI
InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19-,21-,22+,23-,24+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3β,5β,11α)-
  • 5β-Bufa-20,22-dienolide, 3β,11α,14-trihydroxy-
  • (3β,5β,11α)-3,11,14-Trihydroxybufa-20,22-dienolide
  • Gamabufagin
  • Gamabufogenin
  • Gammabufotalin
  • NSC 90384

Work with Gamabufotalin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bufalin465-21-475 % similar Arenobufagin464-74-467 % similar Resibufogenin465-39-457 % similar Bufotalin471-95-454 % similar Cinobufagin470-37-147 % similar Proscillaridin466-06-840 % similar Digitoxigenin143-62-440 % similar Cinobufotalin1108-68-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione19608-29-8 Telocinobufagin472-26-4 Dehydrocholic acid81-23-2

Elsewhere

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