| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 177745-52-7 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | ginsenoside Ia |
| InChI : | InChI=1/C43H74O14/c1-21(2)11-10-14-43(9,57-36-34(52)32(50)30(48)25(19-45)55-36)22-12-16-40(6)28(22)23(46)17-26-39(5)15-13-27(38(3,4)37(39)42(8,53)20-41(26,40)7)56-35-33(51)31(49)29(47)24(18-44)54-35/h11,22-37,44-53H,10,12-20H2,1-9H3/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-,43-/m0/s1 |
| Std.InChI: | InChI=1S/C43H74O14/c1-21(2)11-10-14-43(9,57-36-34(52)32(50)30(48)25(19-45)55-36)22-12-16-40(6)28(22)23(46)17-26-39(5)15-13-27(38(3,4)37(39)42(8,53)20-41(26,40)7)56-35-33(51)31(49)29(47)24(18-44)54-35/h11,22-37,44-53H,10,12-20H2,1-9H3/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-,43-/m0/s1 |
| InChIKey : | LFUJTPIMABONBF-OFHZBHPZBS |
| Std.InChIKey: | LFUJTPIMABONBF-OFHZBHPZSA-N |
| SMILES : | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)(C)O)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C |
| Molar Refractivity : | 210.59 ± 0.4 cm3 (est) |
| Parachor : | 1756.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.599 ± 0.03 (est) |
| Surface Tension : | 66.0 ± 5.0 dyne/cm (est) |
| Density : | 1.32 ± 0.1 g/cm3 (est) |
| Polarizability : | 83.48 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.1764 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 ginsenoside Ia usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for ginsenoside Ia 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 :101142619 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,6,8,10,14-hexamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-4,4,6,8,10,14-hexamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101142619 |
| Pubchem (cas): | 177745-52-7 |
| (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): | HMDB41471 |
| FooDB: | FDB021430 |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12- | dihydroxy-4,4,6,8,10,14-hexamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
