Basic information
- CAS
22338-69-8- Standard SMILES
C=C1[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O- InChIKey
GVGJRXSJJHLPGZ-KDAKKWOESA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- CID 3036892
- IUPAC
- (1R,4S,5R,9S,10S,13S,15S)-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
CHEMBL2402444BDBM50436986AKOS040761800FS-9333(1R,4S,5R,9S,10S,13S,15S)-15-Hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acidGrandiflorolic acidNSC 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)-
Database identifiers
- CAS
22338-69-8- PubChem CID
- 3036892
- ChEMBL
CHEMBL2402444
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
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
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[email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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