| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 138008-05-6 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | ganosporelactone B |
| InChI : | InChI=1/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3/t13-,14?,15-,16?,17+,18?,21-,24-,27+,28+,29-,30?/m1/s1 |
| Std.InChI: | InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3/t13-,14?,15-,16?,17+,18?,21-,24-,27+,28+,29-,30?/m1/s1 |
| InChIKey : | FLFQDUNKJSXJOT-MYBRARKDBR |
| Std.InChIKey: | FLFQDUNKJSXJOT-MYBRARKDSA-N |
| SMILES : | C[C@@H]1CC2(CC(C(=O)O2)C)[C@@H]3C1[C@]4([C@@H](C(=O)C5=C([C@@]4(C3=O)C)[C@@H](CC6[C@@]5(CC[C@@H](C6(C)C)O)C)O)O)C |
| Molar Refractivity : | 134.71 ± 0.4 cm3 (est) |
| Parachor : | 1087.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.598 ± 0.03 (est) |
| Surface Tension : | 57.5 ± 5.0 dyne/cm (est) |
| Density : | 1.30 ± 0.1 g/cm3 (est) |
| Polarizability : | 53.40 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 4.892 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 ganosporelactone B usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for ganosporelactone B 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 :118705178 |
| National Institute of Allergy and Infectious Diseases:Data |
| Chemidplus:0138008056 |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 118705178 |
| Pubchem (cas): | 138008-05-6 |
| (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): | HMDB36403 |
| FooDB: | FDB015282 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| 16,23- | cyclolanost-8-en-26-oic acid, 3,7,12,23-tetrahydroxy-11,15-dioxo-, gamma-lactone, (3beta,7beta,12beta,16alpha,23beta,25R)- |
| None found yet. Try the PubMed Search. |
