marinobufagenin - CAS 470-42-8

Marinobufagenin (CAS 470-42-8) is a cardiotonic bufadienolide steroid secreted by the toad Bufo rubescens and other related species such as Bufo marinus. It is a vasoconstrictor with effects similar to digitalis.

Catalog Number: R000002

CAS Number: 470-42-8

PubChem Substance ID:355178144

Molecular Formula: C24H32O5

Molecular Weight:400.515

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• Synonyms: Marinobufagin;Marinobufogenin;marinobufagenin;3β,5β-Dihydroxy-14β,15β-epoxybufa-20,22-dienolide;3β,5-Dihydroxy-14,15β-epoxy-5β-bufa-20,22-dienolide;14,15β-Epoxy-3β,5-dihydroxy-5β-bufa-20,22-dienolide

Property

• Molecular Formula: C24H32O5
• Molecular Weight: 400.515
• Solubility: Insoluble in water
• Purity: ≥95%
• Storage: -20oC

Computed Descriptor

• IUPAC Name: 5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
• InChI: InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
• InChIKey: JMNQTHQLNRILMH-OBBGIPBRSA-N
• SMILES: CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O)O