Basic information
- CAS
38647-11-9- Standard SMILES
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O- InChIKey
SWOVVKGLGOOUKI-ZHGGVEMFSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Overview
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.
Names & identifiers
- Preferred name
- (-)-Triptonide
- IUPAC
- (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
- English name
- Triptonide
- Molecular formula
- C20H22O6
- Molecular weight
- 358.39
Names & synonyms
Triptonide38647-11-9(-)-triptonideDTXSID801317412CHEBI:132267(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-dioneRefChem:192026DTXCID501747224(5bS,6aS,7aS,8aS,9aS,9bS,10aS,10bS)-8a-Isopropyl-10b-methyl-1,5b,6,6a,8a,9a,9b,10b-octahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3,8(2H,5H)-dioneTrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione,3b,4,4a,7a,7b,8b,9,10-octahydro-8b-methyl-6a-(1-methylethyl)-,(3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-Triptolide,14-deoxy-14-oxo
Show more names
PG 492Triptonid2'',3'':6,7()-TriptonideTriptonide-RMTriptonide USP/EP/BP
SWOVVKGLGOOUKI-ZHGGVEMFSA-NMFCD00210566NSC 165677Triptonide (Standard)Spectrum_001724SpecPlus_000568Spectrum2_000477Spectrum5_001806
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 860
Physicochemical properties
- Melting point
- 251 · 251~252℃
- Boiling point
- 581.1 · 581.1±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Dichloromethane (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- Major Application
- food and beverages
- InChIKey
- SWOVVKGLGOOUKI-PBIZPCRONA-N
- SMILES
- C[C@]12CCC3C(=O)OCC=3[C@]1([H])C[C@@H]1O[C@]31C([C@@]1(C(C)C)O[C@H]1[C@@H]1O[C@]231)=O |&1:1,10,13,15,17,22,23,25,r|
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300+H330 (50%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P264, P270, P271, P280, P284, P301+P316, P304+P340, P316, P318, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 1 OralRepr. 2
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesTriptonide is a Triptolide (T815600) analogue used in the preparation of cytotoxic fluorinated Triptolide.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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