| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 99343-74-5 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | dukunolide C |
| InChI : | InChI=1/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3/t17-,18+,19-,24?,25+,26-,27+,28+/m0/s1 |
| Std.InChI: | InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3/t17-,18+,19-,24?,25+,26-,27+,28+/m0/s1 |
| InChIKey : | HOJFTRARYIFTJU-KGARTDGWBK |
| Std.InChIKey: | HOJFTRARYIFTJU-KGARTDGWSA-N |
| SMILES : | CC(=O)O[C@@H]1C2=CCCC3(C2=C(C(=O)O[C@H]3C4=COC=C4)[C@@]5([C@]1(C(=O)C([C@@]67[C@@]5(OC(=O)[C@@H]6O7)C)(C)C)O)O)C |
| Molar Refractivity : | 127.73 ± 0.4 cm3 (est) |
| Parachor : | 1015.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.657 ± 0.03 (est) |
| Surface Tension : | 73.2 ± 5.0 dyne/cm (est) |
| Density : | 1.55 ± 0.1 g/cm3 (est) |
| Polarizability : | 50.63 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 1.399 mg/L @ 25 °C (est) | |
| None found |
| None found |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for dukunolide C usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for dukunolide C flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :101419918 |
| National Institute of Allergy and Infectious Diseases:Data |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101419918 |
| Pubchem (cas): | 99343-74-5 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | HMDB35204 |
| FooDB: | FDB013850 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| dukunolide C |
| None found yet. Try the PubMed Search. |
