Basic information
- CAS
22338-69-8- Standard SMILES
C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O- InChIKey
GVGJRXSJJHLPGZ-UHFFFAOYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Overview
Grandifloric acid has been reported in Stevia ovata and Conoclinium coelestinum with data available.
Names & identifiers
- Preferred name
- Grandiflorolic acid
- IUPAC
- 15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
- English name
- grandifloric acid
- Molecular formula
- C20H30O3
- Molecular weight
- 318.46
Names & synonyms
Grandiflorolic acid15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo(11.2.1.0^(1,10).0^(4,9))hexadecane-5-carboxylic acid15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acidRefChem:144294Gradifloric acid6619-95-0CID 102004622SCHEMBL15942020DTXSID70944987GAA61995XAA33869MFCD03700714
Show more names
NSC 332872grandifloric acid15alpha-Hydroxykaur-16-en-19-oic acid[15S,(-)]-15α-Hydroxykaur-16-en-18-oic acidKaur-16-en-18-oic acid, 15-hydroxy-, (4α,15α)-
NSC33287215-Hydroxykaur-16-en-18-oic acidAKOS032948884NSC-33287215-hydroxy-5,9-dimethyl-14-methylene-tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Database identifiers
- CAS
22338-69-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
Melting Point216 - 218 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 226 · 226-228 °C
- Boiling point
- 470.7 · 470.7±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 4.65 · 4.65±0.60(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesGrandifloric acid is a Diterpenoids product that can be isolated from the herbs of Siegesbeckia orientalis L.[1].
Suppliers21 total
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [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]
雷丁试剂0510-85629785 18013409632 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…