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Name |
Ginsenoside Rh1 |
EINECS | N/A |
CAS No. | 63223-86-9 | Density | 1.23 g/cm3 |
PSA | 160.07000 | LogP | 3.29560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C36H62O9 | Boiling Point | 755.079 °C at 760 mmHg |
Molecular Weight | 638.883 | Flash Point | 410.457 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dammarane,b-D-glucopyranoside deriv.;20(S)-Ginsenoside Rh1;Prosapogenin A2;Sanchinoside B2; |
Article Data | 8 |
The beta-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl, with the CAS registry number 63223-86-9, is also known as Ginsenoside Rh1. It belongs to the product category of Ginsenoside Series. This chemical's molecular formula is C35H60O9 and molecular weight is 624.85. What's more, its IUPAC name is called (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Physical properties about beta-D-Glucopyranoside, (3β,6α,12β)-3,12,20-trihydroxydammar-24-en-6-yl are: (1)ACD/LogP: 3.289; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 186.03; (6)ACD/BCF (pH 7.4): 186.03; (7)ACD/KOC (pH 5.5): 1466.13; (8)ACD/KOC (pH 7.4): 1466.12; (9)#H bond acceptors: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 160.07 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 172.215 cm3; (15)Molar Volume: 516.924 cm3; (16)Polarizability: 68.271×10-24 cm3; (17)Surface Tension: 57.83 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 410.457 °C; (20)Enthalpy of Vaporization: 125.516 kJ/mol; (21)Boiling Point: 755.079 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C/C(C)=C\CC[C@](C)(O)[C@H]5CC[C@]4(C)[C@@H]5[C@H](O)C[C@H]3[C@@]4(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2[C@]3(C)CC[C@H](O)[C@@]2(C)C
(2) InChI: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
(3) InChIKey: RAQNTCRNSXYLAH-RFCGZQMISA-N