MedKoo Cat#: 581585 | Name: Deacetylscilliroside

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Deacetylscilliroside is a biochemical.

Chemical Structure

Deacetylscilliroside
Deacetylscilliroside
CAS#80496-58-8

Theoretical Analysis

MedKoo Cat#: 581585

Name: Deacetylscilliroside

CAS#: 80496-58-8

Chemical Formula: C30H42O11

Exact Mass: 578.2727

Molecular Weight: 578.66

Elemental Analysis: C, 62.27; H, 7.32; O, 30.41

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
Deacetylscilliroside; 6-Desacetyl-scilliroside; Desacetylscilliroside
IUPAC/Chemical Name
5-((3R,6R,8S,9R,10R,13R,14S,17S)-6,8,14-trihydroxy-10,13-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one
InChi Key
XLCCXBCMWUOBIG-ZKPPSVLOSA-N
InChi Code
InChI=1S/C30H42O11/c1-27-8-5-16(40-26-25(36)24(35)23(34)20(13-31)41-26)11-18(27)19(32)12-29(37)21(27)7-9-28(2)17(6-10-30(28,29)38)15-3-4-22(33)39-14-15/h3-4,11,14,16-17,19-21,23-26,31-32,34-38H,5-10,12-13H2,1-2H3/t16-,17+,19-,20-,21-,23-,24+,25-,26-,27+,28-,29+,30+/m1/s1
SMILES Code
C1[C@@]2([C@@]([C@H](c3coc(cc3)=O)C1)(CC[C@H]1[C@@]2(O)C[C@@H](O)C=2[C@@]1(CC[C@@H](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C2)C)C)O
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 578.66 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.

Recalculate based on batch purity %
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: Krenn L, Kopp B, Deim A, Robien W, Kubelka W. About the bufadienolide complex of "red" squill. Planta Med. 1994 Feb;60(1):63-9. PubMed PMID: 17236017.