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| CAS No.: | 15291-76-6 |
|---|---|
| Name: | Ginkgolide C |
| Molecular Structure: | |
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| Formula: | C20H24O11 |
| Molecular Weight: | 440.404 |
| Synonyms: | 9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione,3-tert-butylhexahydro-2,4,7b,11-tetrahydroxy-8-methyl- (8CI);Ginkgolide A, 1,7-dihydroxy-, (1β,7β)-;5H-Dicyclopenta[b,c]furan-3,5a(6H)-diacetic acid,6-tert-butyl-3a-carboxyhexahydro-a5a,1,2,3,5,7,8-heptahydroxy-a3-methyl-, tri-g-lactone (8CI);BN 52022;9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione,3-(1,1-dimethylethyl)hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11R,11aR)-; |
| Density: | 1.72 g/cm3 |
| Melting Point: | >3000 °C |
| Boiling Point: | 813.8 °C at 760 mmHg |
| Flash Point: | 291.4 °C |
| Appearance: | crystalline solid |
| Safety: | 22-24/25 |
| PSA: | 169.05000 |
| LogP: | -2.39870 |
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Specification
The Ginkgolide C, with the CAS registry number 15291-76-6, is also known as 1,7-Dihydroxy-ginkgolide A. It belongs to the product categories of Saponins; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C20H24O11 and molecular weight is 440.40. What's more, its systematic name is Ginkgolide A, 1,7-dihydroxy-, (1β,7β)-. This chemical is a family of bioactive terpenes treating cardiovascular and cerebrovascular diseases. Its specific platelet can activate factor (PAF) antagonists.
Physical properties of Ginkgolide C are: (1)ACD/LogP: 0.159; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 29.09; (8)ACD/KOC (pH 7.4): 29.08; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 169.05 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 95.716 cm3; (15)Molar Volume: 255.931 cm3; (16)Polarizability: 37.945×10-24cm3; (17)Surface Tension: 88.19 dyne/cm; (18)Density: 1.721 g/cm3; (19)Flash Point: 291.352 °C; (20)Enthalpy of Vaporization: 134.67 kJ/mol; (21)Boiling Point: 813.759 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Uses of Ginkgolide C: it can be used to produce C20H22O11 at the temperature of 0 °C. It will need reagent CrO3 and solvent acetone with the reaction time of 3 hours. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)[C@@H]1[C@@H](O)[C@H]4OC(=O)[C@@]53O[C@@H]6OC(=O)[C@H](O)C16C45[C@H](O)[C@@H]2OC(=O)[C@@H](C)[C@@]23O
(2)Std. InChI: InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17?,18?,19-,20-/m1/s1
(3)Std. InChIKey: AMOGMTLMADGEOQ-WYBIKOHLSA-N