Basic information
- CAS
13850-16-3- Standard SMILES
C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O- InChIKey
OXVUXGFZHDKYLS-BLIWDXROSA-N- Molecular formula
- C30H48O5
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.35017463
Overview
Tormentic acid is a triterpenoid. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Tormentic Acid
- IUPAC
- (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
- English name
- 2α,19α－Dihydroxyursolic acid
- Molecular formula
- C30H48O5
- Molecular weight
- 488.7
Names & synonyms
Tormentic acid13850-16-39WL8LH7U78Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta)-RefChem:933200Jacarandic acidtomentic acid(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidCHEBI:706822alpha,3beta,19-Trihydroxyurs-12-en-28-oic acid(1R,2R,4AS,6AS,6BR,8AR,10R,11R,12AR,12BR,14BS)-1,10,11-TRIHYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACIDTormenticacid
Show more names
2α,3β,19α-Trihydroxyurs-12-en-28-oic acid2α,19α－Dihydroxyursolic acidTormentic acid, 10 mM in DMSO2α,3β,19-Trihydroxyurs-12-en-28-oic acidtwo Α, nineteen Α- Dihydroxy Ursolic acidPotentillary acid, 2_, 19_-dihydroxy ursolic acidUrs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2α,3β)-2α,3β,19α-Trihydroxy-19-methyl-30-noroleana-12-ene-28-oic acid
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 956
Physicochemical properties
- Melting point
- 273 °C · 273 °C
- Boiling point
- 602.7 · 602.7±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Pyridine (Sparingly)
- form
- Solid
- pka
- 4.47 · 4.47±0.70(Predicted)
- color
- White to Off-White
- FDA UNII
- 9 WL8LH7U78 · 9WL8LH7U78
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918199890 · 2918199890
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918199890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTormentic Acid is isolated from Tormentil rhizomes and has inhibitory effect on carcinognenesis. In addition, Tormentic Acid has been implicated to be a potential therapeutic candidate for the prevention of APAP-induced liver injury by inhibiting oxidative stress and inflammation.
Suppliers100 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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