WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 581238
Description: Daigremontianin is a bufadienolide. Bufadienolides are steroids and cardiac glycoside aglycones (meaning that they bind with carbohydrates to form cardiac glycosides) that are similar to cardenolides, differing only in the structure of the C-17 substituent on the D ring. This chemical has been found to be toxic in experiments on mice, it is one of five bufadienolides that have been isolated from Kalanchoe daigremontiana.
MedKoo Cat#: 581238
Chemical Formula: C26H30O9
Exact Mass: 486.189
Molecular Weight: 486.52
Elemental Analysis: C, 64.19; H, 6.22; O, 29.60
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IUPAC/Chemical Name: (2S,4S,6R,6aR,6bS,7S,8aR,9R,11aS,11bR,13aR)-7,11a-dihydroxy-2,8a-dimethyl-8-oxo-9-(2-oxo-2H-pyran-5-yl)dodecahydro-4H-2,6-epoxy-4,13a-methanocyclopenta[5,6]naphtho[2,1-d][1,3]dioxocine-6a(6bH)-carbaldehyde
InChi Key: PHOLEJIIASOWOL-NGDBJROISA-N
InChi Code: 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
SMILES Code: C1[C@H]2C[C@@]34[C@@]([C@@H]1O[C@@](O2)(C)O4)(C=O)[C@@H]1[C@@H](CC3)[C@]2(O)[C@](C)(C(=O)[C@H]1O)[C@@H](c1ccc(oc1)=O)CC2
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 486.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Wagner H, Fischer M, Lotter H. Isolation and structure determination of daigremontianin, a novel bufadienolide from Kalanchoe daigremontiana. Planta Med. 1985 Apr;(2):169-70. PubMed PMID: 3839925.