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| CAS No.: | 18524-94-2 |
|---|---|
| Name: | Loganin |
| Molecular Structure: | |
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| Formula: | C17H26O10 |
| Molecular Weight: | 390.387 |
| Synonyms: | Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-,methyl ester (7CI);Cyclopenta[c]pyran-4-carboxylic acid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-,methyl ester, [1S-(1a,4aa,6a,7a,7aa)]-;Loganin (6CI,8CI);(-)-Loganin;(1S)-1a-(b-D-Glucopyranosyloxy)-1,4aa,5,6,7,7aa-hexahydro-6a-hydroxy-7a-methylcyclopenta[c]pyran-4-carboxylicacid methyl ester;7-Hydroxy-6-desoxyverbenalin;Loganoside;NSC 606403; |
| EINECS: | 242-398-0 |
| Density: | 1.5 g/cm3 |
| Melting Point: | 222 °C |
| Boiling Point: | 608.8 °C at 760 mmHg |
| Flash Point: | 217.9 °C |
| Solubility: | Completely soluble in water |
| Appearance: | White Powder |
| Risk Codes: | 22 |
| Safety: | 22-45 |
| Transport Information: | UN 1544 |
| PSA: | 155.14000 |
| LogP: | -2.15080 |
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Specification
The CAS register number of Loganin is 18524-94-2. It also can be called as Methyl 6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate and the IUPAC name about this chemical is methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate. The molecular formula about this chemical is C17H26O10 and the molecular weight is 390.39. It belongs to the following product categories which include Iridoids; LChromatography; Alphabetic; Chemical Class; Herbal DrugsAnalytical Standards; Life Sciences Standards; Natural Compounds; Natural CompoundsChemical Class; Natural Terpene Standards and so on. This chemical is harmful if swallowed. When you are using it, please do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). This chemical can be found in many plants and it can be used as a precursor to secologanin and tryptamine.
Physical properties about Loganin are: (1)ACD/LogP: -2.73; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.73; (4)ACD/LogD (pH 7.4): -2.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 100.14Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 88.84 cm3; (15)Molar Volume: 259.8 cm3; (16)Polarizability: 35.22x10-24cm3; (17)Surface Tension: 72.2 dyne/cm; (18)Enthalpy of Vaporization: 103.73 kJ/mol; (19)Boiling Point: 608.8 °C at 760 mmHg; (20)Vapour Pressure: 2.31E-17 mmHg at 25°C.
Preparation: this chemical can be prepared by Penta-O-acetyl-loganin. This reaction will need reagent NaOMe and solvent methanol. The reaction time is 4 hour(s) with reaction temperature of 20 °C. The yield is about 93%.
Uses of Loganin: it can be used to produce 7-Ketologanin. This reaction will need reagent Jones reagent.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C2=C\O[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]3[C@@H](C)[C@@H](O)C[C@H]23
(2)InChI: InChI=1/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
(3)InChIKey: AMBQHHVBBHTQBF-UOUCRYGSBL
(4)Std. InChI: InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
(5)Std. InChIKey: AMBQHHVBBHTQBF-UOUCRYGSSA-N