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MedKoo Cat#: 412789 | Name: Chaetiacandin

Description:

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

Chaetiacandin is an anti-yeast antibiotic structurally related to papulacandin.

Chemical Structure

Chaetiacandin
Chaetiacandin
CAS#96989-32-1

Theoretical Analysis

MedKoo Cat#: 412789

Name: Chaetiacandin

CAS#: 96989-32-1

Chemical Formula: C43H60O16

Exact Mass: 832.3881

Molecular Weight: 832.94

Elemental Analysis: C, 62.01; H, 7.26; O, 30.73

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Chaetiacandin
IUPAC/Chemical Name
3-((5-(2-(((2E,4E)-deca-2,4-dienoyl)oxy)-1-hydroxyethyl)-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-6-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-5-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (2E,4E,8E,10E)-7-hydroxy-12-methyltrideca-2,4,8,10-tetraenoate
InChi Key
XTPPYHVGAMJHPL-WAXQHDLUSA-N
InChi Code
InChI=1S/C43H60O16/c1-4-5-6-7-8-9-12-19-33(50)55-25-31(49)39-36(52)37(53)43(58-39)59-40-32(24-45)56-41(35-27(23-44)21-29(47)22-30(35)48)38(54)42(40)57-34(51)20-13-10-11-17-28(46)18-15-14-16-26(2)3/h8-16,18-22,26,28,31-32,36-49,52-54H,4-7,17,23-25H2,1-3H3/b9-8+,11-10+,16-14+,18-15+,19-12+,20-13+
SMILES Code
CCCCC/C=C/C=C/C(OCC(C1OC(C(C1O)O)OC2C(OC(c3c(CO)cc(O)cc3O)C(C2OC(/C=C/C=C/CC(/C=C/C=C/C(C)C)O)=O)O)CO)O)=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
>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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 832.94 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: Komori T, Yamashita M, Tsurumi Y, Kohsaka M. Chaetiacandin, a novel papulacandin. I. Fermentation, isolation and characterization. J Antibiot (Tokyo). 1985 Apr;38(4):455-9. doi: 10.7164/antibiotics.38.455. PMID: 3839230. 2: Komori T, Itoh Y. Chaetiacandin, a novel papulacandin. II. Structure determination. J Antibiot (Tokyo). 1985 Apr;38(4):544-6. doi: 10.7164/antibiotics.38.544. PMID: 3839234. 3: Dubois E, Beau JM. Papulacandins and chaetiacandin: a stereoselective route to their basic skeleton by a palladium-mediated arylation of 4,6-O-benzylidene-3-O-tert- butyldimethylsilyl-l-tributyl-stannyl-D-glucal. Carbohydr Res. 1992 Jan;223:157-67. doi: 10.1016/0008-6215(92)80014-r. PMID: 1596916. 4: Parker KA, Georges AT. Reductive aromatization of quinols: synthesis of the C-arylglycoside nucleus of the papulacandins and chaetiacandin. Org Lett. 2000 Feb 24;2(4):497-9. doi: 10.1021/ol991346l. PMID: 10814360.