Cascarillin

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

MedKoo CAT#: 412425

CAS#: 10118-56-6

Description: Cascarillin is a diterpenoid.


Chemical Structure

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Cascarillin
CAS# 10118-56-6

Theoretical Analysis

MedKoo Cat#: 412425
Name: Cascarillin
CAS#: 10118-56-6
Chemical Formula: C22H32O7
Exact Mass: 408.21
Molecular Weight: 408.490
Elemental Analysis: C, 64.69; H, 7.90; O, 27.42

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Cascarillin; UNII-AQ7KPX1L65

IUPAC/Chemical Name: (2R,3S,4S,4aS,7R,8R,8aR)-4-formyl-4-((R)-2-(furan-3-yl)-2-hydroxyethyl)-7,8-dihydroxy-3,8,8a-trimethyldecahydronaphthalen-2-yl acetate

InChi Key: ZOWKQQIGQBVKSV-BZLLESMPSA-N

InChi Code: InChI=1S/C22H32O7/c1-13-17(29-14(2)24)10-20(3)18(5-6-19(26)21(20,4)27)22(13,12-23)9-16(25)15-7-8-28-11-15/h7-8,11-13,16-19,25-27H,5-6,9-10H2,1-4H3/t13-,16-,17-,18+,19-,20-,21+,22-/m1/s1

SMILES Code: C[C@@H]1[C@H](OC(C)=O)C[C@@]2([C@@H]([C@@]1(C=O)C[C@H](c3ccoc3)O)CC[C@H]([C@@]2(O)C)O)C

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: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 408.49 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Appendino G, Borrelli F, Capasso R, Campagnuolo C, Fattorusso E, Petrucci F, Taglialatela-Scafati O. Minor diterpenoids from cascarilla (Croton eluteria Bennet) and evaluation of the cascarilla extract and cascarillin effects on gastric acid secretion. J Agric Food Chem. 2003 Nov 19;51(24):6970-4. doi: 10.1021/jf034780h. PMID: 14611156.

2: Fattorusso E, Taglialatela-Scafati O, Campagnuolo C, Santelia FU, Appendino G, Spagliardi P. Diterpenoids from Cascarilla (Croton eluteria Bennet). J Agric Food Chem. 2002 Aug 28;50(18):5131-8. doi: 10.1021/jf0203693. PMID: 12188619.

3: Roudnitzky N, Behrens M, Engel A, Kohl S, Thalmann S, Hübner S, Lossow K, Wooding SP, Meyerhof W. Receptor Polymorphism and Genomic Structure Interact to Shape Bitter Taste Perception. PLoS Genet. 2015 Sep 25;11(9):e1005530. doi: 10.1371/journal.pgen.1005530. PMID: 26406243; PMCID: PMC4583475.

4: Vigor C, Fabre N, Fourasté I, Moulis C. Three clerodane diterpenoids from Croton eluteria Bennett. Phytochemistry. 2001 Aug;57(8):1209-12. doi: 10.1016/s0031-9422(01)00183-2. PMID: 11454345.