MedKoo Cat#: 461429 | Name: Rotiorin

Description:

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

Rotiorin is a polyketide metabolite.

Chemical Structure

Rotiorin
Rotiorin
CAS#27781-60-8

Theoretical Analysis

MedKoo Cat#: 461429

Name: Rotiorin

CAS#: 27781-60-8

Chemical Formula: C23H24O5

Exact Mass: 380.1624

Molecular Weight: 380.44

Elemental Analysis: C, 72.61; H, 6.36; O, 21.03

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
Rotiorin;
IUPAC/Chemical Name
(S)-3-acetyl-6-((S,1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl)-9a-methyl-2H-furo[3,2-g]isochromene-2,9(9aH)-dione
InChi Key
CJMOMVNHRUTOJX-WCUWGRSFSA-N
InChi Code
InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
SMILES Code
O=C(O1)C(C(C)=O)=C2[C@@]1(C)C(C3=COC(/C=C/C(C)=C/[C@@H](C)CC)=CC3=C2)=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 380.44 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: Kim HY, Heo do Y, Park HM, Singh D, Lee CH. Metabolomic and Transcriptomic Comparison of Solid-State and Submerged Fermentation of Penicillium expansum KACC 40815. PLoS One. 2016 Feb 10;11(2):e0149012. doi: 10.1371/journal.pone.0149012. eCollection 2016. PubMed PMID: 26863302; PubMed Central PMCID: PMC4749308. 2: Chong R, King RR, Whalley WB. The chemistry of fungi. LXI. The synthesis of ( )-sclerotiorin, of ( )-4,6-dimethylocta-trans-2,trans-4-dienoic acid, and of an analogue of rotiorin. J Chem Soc Perkin 1. 1971;21:3566-71. PubMed PMID: 5167264. 3: Kanokmedhakul S, Kanokmedhakul K, Nasomjai P, Louangsysouphanh S, Soytong K, Isobe M, Kongsaeree P, Prabpai S, Suksamrarn A. Antifungal azaphilones from the fungus Chaetomium cupreum CC3003. J Nat Prod. 2006 Jun;69(6):891-5. PubMed PMID: 16792406. 4: Tomoda H, Matsushima C, Tabata N, Namatame I, Tanaka H, Bamberger MJ, Arai H, Fukazawa M, Inoue K, Omura S. Structure-specific inhibition of cholesteryl ester transfer protein by azaphilones. J Antibiot (Tokyo). 1999 Feb;52(2):160-70. PubMed PMID: 10344570.