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| CAS No.: | 51542-56-4 |
|---|---|
| Name: | Ginsenoside Re |
| Molecular Structure: | |
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| Formula: | C48H82O18 |
| Molecular Weight: | 947.16 |
| Synonyms: | Panax saponin C (9CI);Panax saponin C;(3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside; |
| EINECS: | 257-814-6 |
| Density: | 1.38 g/cm3 |
| Boiling Point: | 1011.816 °C at 760 mmHg |
| Flash Point: | 565.726 °C |
| Hazard Symbols: |
 Xn, Xi
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| Risk Codes: | 20/21/22-63-62-46-36/38 |
| Safety: | 26-53-36/37-25 |
| PSA: | 298.14000 |
| LogP: | -0.02840 |
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Specification
The Ginsenoside Re, with the CAS registry number 51542-56-4, is also known as Panax saponin C. It belongs to the product categories of Biochemicals Found in Plants; Isoprenoid/terpenoid; Nutrition Research. This chemical's molecular formula is C48H82O18 and molecular weight is 947.15. What's more, its systematic name is (3β,6α,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Ginsenoside Re are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.06; (6)ACD/BCF (pH 7.4): 16.06; (7)ACD/KOC (pH 5.5): 253.81; (8)ACD/KOC (pH 7.4): 253.80; (9)#H bond acceptors: 18; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 298.14 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 238.122 cm3; (15)Molar Volume: 686.328 cm3; (16)Polarizability: 94.399×10-24cm3; (17)Surface Tension: 71.17 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 565.726 °C; (20)Enthalpy of Vaporization: 167.328 kJ/mol; (21)Boiling Point: 1011.816 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. It is harmful by inhalation, in contact with skin and if swallowed. This substance may cause heritable genetic damage. It has a possible risk of impaired fertility and a possible risk of harm to the unborn child. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing and gloves and must avoid contact with eyes. It should be avoided exposure, and you need to obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES: O([C@@H]6[C@@H](O)[C@H](O)[C@H](O[C@H]6O[C@H]4C[C@@]2(C)[C@]5(C)CC[C@H]([C@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(C)CC\C=C(/C)C)[C@H]5[C@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]34)CO)[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C
(2)Std. InChI: InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
(3)Std. InChIKey: PWAOOJDMFUQOKB-WCZZMFLVSA-N