beta-Sitosteryl acetate
Also known as beta-Sitosterol acetate, Sitosteryl acetate, Sitosterol acetate
Key facts
What buyers check first
- CAS number
- 915-05-9
- Formula
- C31H52O2
- Molar mass
- 456.76 g/mol
- EC number
- 213-019-6
- HS code
- 291539
- Category
- Steroids and sterols
What is beta-Sitosteryl acetate?
Plain description, key identifiers and synonyms
Beta-sitosterol 3-O-acetate is a steroid ester obtained by the formal condensation of the hydroxy group of beta-sitosterol with acetic acid. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a plant metabolite and a fungal metabolite. It is an acetate ester and a steroid ester. It is functionally related to a sitosterol. It derives from a hydride of a stigmastane.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- CAS number
- 915-05-9 CAS number cross-checked
- EC number
- 213-019-6
- Molecular formula
- C31H52O2
- UNII
- TWI48DH01E
- MDL number
- MFCD00083497
- INCI name
- BETA-SITOSTERYL ACETATE
- InChIKey
- PBWOIPCULUXTNY-LBKBYZTLSA-N
- InChI
- InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
- Canonical SMILES
- CCC(CCC(C)C1CCC2C3CC=C4CC(OC(C)=O)CCC4(C)C3CCC12C)C(C)C
- Isomeric SMILES
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C)C
Synonyms
- beta-Sitosterol acetate
- Sitosteryl acetate
- Sitosterol acetate
- 3beta-Acetoxystigmast-5-ene
- Stigmast-5-en-3-ol, acetate
- Stigmast-5-en-3beta-yl acetate
- beta-Sitosterol 3-acetate
- Stigmast-5-en-3beta-ol, acetate
- Sitosterol,beta, acetate
- Stigmast-5-en-3-ol, acetate, (3beta)-
- o-Acetyl-beta-sitosterol
- Stigmast-5-ene-3beta-ol acetate
- Stigmast-5-en-3-ol, 3-acetate, (3.beta.)-
- Stigmast-5-en-3-ol, acetate (8CI)
- Stigmast-5-en-3-ol, acetate, (3beta)-(9CI)
- Stigmast-5-en-3-ol, 3-acetate, (3beta)-
- Acetyl-beta-sitosterol
- beta-Sitosterol Acetate (contains Campesterol Acetate)
- Stigmast-5-en-3-beta-yl acetate
- Stigmast-5-en-3-yl acetate #
- beta-sitosterol 3-O-acetate
- A-Sitosterol acetate
- Sitosterol, acetate
- beta-Sitosterol, acetate
- A-Sitosterol acetate, 95%
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 | 456.76 g/molcalc.Computed value |
|---|---|
| Exact mass | 456.3967 Dacalc.Computed value |
| LogP (octanol/water) | 8.6calc.Computed value |
| Topological polar surface area | 26.3 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 33calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.9calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 9calc.Computed value |
| Lipinski rule of five | Passes (1 violation)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.
beta-Sitosteryl acetate suppliers
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beta-Sitosteryl acetate 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
Use classes: Cosmetics.
Industries and functions
Cosmetic ingredient, INCI name BETA-SITOSTERYL ACETATE(skin conditioning, light stabilizer)
Roles
- eukaryotic metabolite
- fungal metabolite
- metabolite
- plant metabolite
Functional uses
- Softener and conditioner
- Stabilizing agent
Cosmetic functions
- Light stabilizer
- Skin conditioning
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code beta-Sitosteryl acetate is traded under.
Esters of acetic acid, other
- China58.0%
- United States7.3%
- Germany6.5%
- Singapore15.6%
- South Korea7.2%
- Indonesia6.9%
The HS code shown for beta-Sitosteryl acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about beta-Sitosteryl acetate, based on the data on this page
What is beta-Sitosteryl acetate?
What is the CAS number of beta-Sitosteryl acetate?
What is the molecular formula and weight of beta-Sitosteryl acetate?
What is beta-Sitosteryl acetate used for?
Is beta-Sitosteryl acetate hazardous?
What is the HS code of beta-Sitosteryl acetate?
Where can I buy beta-Sitosteryl acetate?
What is the price of beta-Sitosteryl acetate?
Guides for buyers
Practical guides that help when you source, ship or handle beta-Sitosteryl acetate
- 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
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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