(-)-Triptonide
Also known as Triptonide, (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione, (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo(11.7.0.02,4.02,9.05,7.09,11.014,18)icos-14(18)-ene-8,17-dione
Key facts
What buyers check first
- CAS number
- 38647-11-9
- Formula
- C20H22O6
- Molar mass
- 358.39 g/mol
- EC number
- 683-215-8
- HS code
- 293220
- Category
- Screening compounds
What is (-)-Triptonide?
Plain description, key identifiers and synonyms
Triptonide is a diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. It has a role as an antineoplastic agent, an immunosuppressive agent and an anti-inflammatory agent. It is a diterpene triepoxide, a cyclic ketone, a butenolide and an organic heteroheptacyclic compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione
- CAS number
- 38647-11-9
- EC number
- 683-215-8
- Molecular formula
- C20H22O6
- MDL number
- MFCD00210566
- InChIKey
- SWOVVKGLGOOUKI-ZHGGVEMFSA-N
- InChI
- InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1
- Canonical SMILES
- CC(C)C12OC1C1OC13C1(C)CCC4=C(COC4=O)C1CC1OC13C2=O
- Isomeric SMILES
- CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4(C2=O)O7)COC6=O)C
Synonyms
- Triptonide
- (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione
- (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo(11.7.0.02,4.02,9.05,7.09,11.014,18)icos-14(18)-ene-8,17-dione
- Triptolide,14-deoxy-14-oxo
- Triptonide (Standard)
- DivK1c_006664
- Triptonide, >=98% (HPLC)
- Triptolide, 14-deoxy-14-oxo-
- PG 492
- (1S,2S,4S,5S,7S,9S,11S,13S)-1-methyl-7-(propan-2-yl)-3,6,10,16-tetraoxaheptacyclo[11.7.0.0^{2,4}.0^{2,9}.0^{5,7}.0^{9,11}.0^{14,18}]icos-14(18)-ene-8,17-dione
- (1S,2S,4S,5S,7S,9S,11S,13S)-7-isopropyl-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-ene-8,17-dione
- (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione
- (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-8b-Methyl-6a-(propan-2-yl)-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione
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 | 358.39 g/molcalc.Computed value |
|---|---|
| Exact mass | 358.1416 Dacalc.Computed value |
| LogP (octanol/water) | 1.31calc.Computed value |
| Topological polar surface area | 80.96 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 7calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.8calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 8calc.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
Hazard statements
- H300 + H330Fatal if swallowed. Fatal if inhaled.
- H300Fatal if swallowed.
- H330Fatal if inhaled.
- H361Suspected of damaging fertility or the unborn child.
- H361fSuspected of damaging fertility.
Precautionary statements (17)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P284In case of inadequate ventilation wear respiratory protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P318If exposed or concerned, get medical advice.
- P320Specific treatment is urgent (see supplemental first aid instructions on the label).
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid(-)-Triptonide suppliers
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- Price on request
- United StatesUnclaimed profile(-)-TriptonideGrade, purity and minimum order on requestPrice on request
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- China, GuangzhouUnclaimed profile(-)-TriptonideGrade, purity and minimum order on requestPrice on request
- China, KunshanUnclaimed profile(-)-TriptonideGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profile(-)-TriptonideGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
7 suppliers in 2 countries
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(-)-Triptonide price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- anti-inflammatory agent
- antineoplastic agent
- immunomodulator
- immunosuppressive agent
- 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 (-)-Triptonide is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for (-)-Triptonide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about (-)-Triptonide, based on the data on this page
What is (-)-Triptonide?
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What is the molecular formula and weight of (-)-Triptonide?
What is (-)-Triptonide used for?
Is (-)-Triptonide hazardous?
What is the HS code of (-)-Triptonide?
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Guides for buyers
Practical guides that help when you source, ship or handle (-)-Triptonide
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.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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