Compactin diol lactone
Also known as (4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one, (4R,6R)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}oxan-2-one, (4R,6R)-4-hydroxy-6-(2-((1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one
Key facts
What buyers check first
- CAS number
- 58889-19-3
- Formula
- C18H26O4
- Molar mass
- 306.40 g/mol
- HS code
- 293220
- Category
- Cardiovascular and metabolic drugs
What is Compactin diol lactone?
Plain description, key identifiers and synonyms
Compactin diol lactone is a carbobicyclic compound that is ML-236C substituted by a hydroxy group at position 8S. It is a fungal metabolite isolated from Penicillium citrinum and exhibits anticholesteremic activity. It has a role as an antiatherosclerotic agent, an antimicrobial agent, an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor, an antilipemic drug, an anticholesteremic drug and a fungal metabolite. It is a member of hexahydronaphthalenes, a polyketide, a secondary alcohol, a carbobicyclic compound and a member of 2-pyranones. It is functionally related to a ML-236C.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
- CAS number
- 58889-19-3 CAS number cross-checked
- Molecular formula
- C18H26O4
- InChIKey
- WWSNTLOVYSRDEL-DZSDEGEFSA-N
- InChI
- InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14+,15-,16-,18-/m0/s1
- Canonical SMILES
- CC1C=CC2=CCCC(O)C2C1CCC1CC(O)CC(=O)O1
- Isomeric SMILES
- C[C@H]1C=CC2=CCC[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)O
Synonyms
- (4R,6R)-6-[2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
- (4R,6R)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}oxan-2-one
- (4R,6R)-4-hydroxy-6-(2-((1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one
- (4R,6R)-4-hydroxy-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one
- desmethylmonacolin J
- Antibiotic ML 236A
- 2H-Pyran-2-one, 6-(2-(1,2,6,7,8,8a-hexahydro-8-hydroxy-2-methyl-1-naphthalenyl)ethyl)tetrahydro-4-hydroxy-, (1S-(1-alpha(4S*,6S*),2-alpha,8-beta,8a-alpha))-
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 306.40 g/molcalc.Computed value |
|---|---|
| Exact mass | 306.1831 Dacalc.Computed value |
| LogP (octanol/water) | 2.35calc.Computed value |
| Topological polar surface area | 66.76 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.72calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Compactin diol lactone suppliers
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Compactin diol lactone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antiatherosclerotic agent
- anticholesteremic drug
- antilipemic drug
- antimicrobial agent
- cardiovascular drug
- enzyme inhibitor
- eukaryotic metabolite
- fungal metabolite
- metabolite
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Compactin diol lactone is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Compactin diol lactone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Compactin diol lactone, based on the data on this page
What is Compactin diol lactone?
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What is Compactin diol lactone used for?
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What is the HS code of Compactin diol lactone?
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Guides for buyers
Practical guides that help when you source, ship or handle Compactin diol lactone
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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