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Sapindoside B

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Name

Sapindoside B

EINECS N/A
CAS No. 30994-75-3 Density 1.38g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C46H74 O16 Boiling Point 975.1°Cat760mmHg
Molecular Weight 883.084 Flash Point 280.8°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30994-75-3 (sapindoside B) Hazard Symbols N/A
Synonyms

SapindosideB (8CI);Akebia saponin PG;Kalopanaxsaponin I;Prosapogenin CP5;

Article Data 14

Sapindoside B Specification

The Sapindoside B, with the CAS registry number 30994-75-3.It belongs to the product Organic matters,Pharmaceutical Intermediates. And it is Isolated from Locinera fulvotomentosa. This chemical's molecular formula is C46H74O16 and molecular weight is 883.07. What's more, Its systematic name is (3β)-23-Hydroxy-3-{[β-D-xylopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid.

Physical properties about Sapindoside B are: (1)ACD/LogP: 4.012; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 78.40; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 431.02; (8)ACD/KOC (pH 7.4): 6.79; (9)#H bond acceptors: 16; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 222.452 cm3; (14)Molar Volume: 638.32 cm3; (15)Surface Tension: 69.7109985351563 dyne/cm; (16)Density: 1.383 g/cm3; (17)Flash Point: 280.828 °C; (18)Enthalpy of Vaporization: 161.069 kJ/mol; (19)Boiling Point: 975.102 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)[C@@]82[C@H](/C1=C/C[C@H]7[C@](C)([C@]1(C)CC2)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)[C@@]6(C)CO)CC(C)(C)CC8;
(2)Std. InChI:InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1;
(3)Std. InChIKey:IAGSHEHQJJTLLR-FNINEVAMSA-N;

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