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| CAS No.: | 58543-17-2 |
|---|---|
| Name: | REBAUDIOSIDE B(P)(NEW) |
| Molecular Structure: | |
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| Formula: | C38H60O18 |
| Molecular Weight: | 804.884 |
| Synonyms: | Stevioside a4;Kaur-16-en-18-oic acid,13-[(O-a-D-glucopyranosyl-(1f2)-O- [a-D-glucopyranosyl-(1f3)]-a-Dglucopyranosyl) oxy]-,(4R)-; |
| Density: | 1.53 g/cm3 |
| Boiling Point: | 1000.6 °C at 760 mmHg |
| Flash Point: | 302.5 °C |
| PSA: | 294.98000 |
| LogP: | -2.37240 |
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- 58543-16-1
rebaudioside A
- 58543-17-2
rebaudioside B
| Conditions | Yield |
|---|---|
| With water; potassium hydroxide at 90℃; for 1h; | 98% |
| With water; potassium hydroxide at 90℃; for 6h; | 70% |
| With water Alkaline conditions; | |
| With potassium hydroxide In water for 1h; Reflux; |
- 57817-89-7
stevioside
- 58543-17-2
rebaudioside B
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol at 110℃; for 1.5h; | 90 mg |
| Conditions | Yield |
|---|---|
| With dmap; triethylamine at 60℃; for 2h; | 95% |
| With dmap; triethylamine at 60℃; for 3h; Temperature; Inert atmosphere; | 94% |
| With sodium acetate at 140℃; for 2.5h; | 76% |
| Conditions | Yield |
|---|---|
| With cutinase from Thermobifida fusca In methanol; aq. phosphate buffer at 55 - 70℃; for 12h; Solvent; Temperature; Time; | 50.2% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide; potassium carbonate 1.) DMF, RT, 64 h, 2.) DMF, 40 deg C, overnight; Yield given. Multistep reaction; |
- 58543-17-2
rebaudioside B
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol at 20℃; under 760.051 Torr; |
- 58543-17-2
rebaudioside B
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium acetate / 2.5 h / 140 °C 2: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 1 h / 0 - 25 °C View Scheme |
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Specification
The Rebaudioside B is an organic compound with the formula C38H60O18. The systematic name of this chemical is Rebaudioside B. With the CAS registry number 58543-17-2, it is also named as CCRIS 6118.
Physical properties about Rebaudioside B are: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -3.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.75; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 18; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 173.98 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 190.36 cm3; (15)Molar Volume: 524.7 cm3; (16)Polarizability: 75.46×10-24cm3; (17)Surface Tension: 85.6 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 302.5 °C; (20)Enthalpy of Vaporization: 165.41 kJ/mol; (21)Boiling Point: 1000.6 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(C)CCC[C@]6(C)C1CC[C@]57C[C@](O[C@H]4O[C@H]([C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]4O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CO)(\C(=C)C5)CCC67
(2)InChI: InChI=1/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20?,21?,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-/m0/s1
(3)InChIKey: DRSKVOAJKLUMCL-FIPBZOTEBX
(4)Std. InChI: InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20?,21?,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-/m0/s1
(5)Std. InChIKey: DRSKVOAJKLUMCL-FIPBZOTESA-N