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Basic information
- CAS
70868-78-9- 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)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O- InChIKey
YCOKATFNRPZIIU-NIZSJLHKSA-N- Molecular formula
- C30H48O6
- Average molar mass
- 504.71 g/mol
Names & identifiers
- Preferred name
- 23-Hydroxytormentic acid
- English name
- 23-Hydroxytormentic acid
- Molecular formula
- C30H48O6
- Molecular weight
- 504.71
Names & synonyms
19α-Hydroxyasiatic acid23-Hydroxytormentic acid23-Hydroxytormentic acid >=95% (LC/MS-ELSD)19α-Hydroxyasiatic acid（2α,19,23-Trihydroxyursolic acid）Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2α,3β,4α)-
Database identifiers
- CAS
70868-78-9- PubChem CID
- 490367
- ChEMBL
CHEMBL515920- ChEBI
CHEBI:67915- EC Number
- 804-195-0
- Nikkaji
- J505.917H
Properties
Physicochemical properties
- Melting point
- 282 · 282-284 °C
- Boiling point
- 639.3 · 639.3±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- Solid
- pka
- 4.46 · 4.46±0.70(Predicted)
- color
- White to off-white
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChIKey
- YCOKATFNRPZIIU-NIZSJLHKSA-N
- SMILES
- C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Usesmetabolomicsvitamins, nutraceuticals, and natural products
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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