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| CAS No.: | 15291-75-5 |
|---|---|
| Name: | Ginkgolide A |
| Molecular Structure: | |
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| Formula: | C20H24O9 |
| Molecular Weight: | 408.405 |
| 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-4,7b-dihydroxy-8-methyl- (8CI);BN52020;[1R-(1a,3b,3aS*,4b,6aa,7aa,7ba,8a,10aa,11aS*)]-3-(1,1-Dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-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;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-4,7b-dihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-; |
| EINECS: | 604-873-4 |
| Density: | 1.72 g/cm3 |
| Melting Point: | 280 °C (dec.) |
| Boiling Point: | 813.8 °C at 760 mmHg |
| Flash Point: | 291.4 °C |
| Appearance: | crystalline solid |
| Safety: | 24/25 |
| PSA: | 128.59000 |
| LogP: | -0.34030 |
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Specification
The Ginkgolide A, with the CAS registry number 15291-75-5, is also known as 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-4,7b-dihydroxy-8-methyl-, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)-. It belongs to the product categories of Saponins; Intermediates & Fine Chemicals; Pharmaceuticals; Alphabetic; Biochemicals Found in Plants; Isoprenoid/terpenoid; Esters Chemical Class; Herbal Drugs Analytical Standards; Heterocyclics; Ketones Chromatography; Oxygen containing; Analytical Standards; Chemical Class; Life Sciences Standards; Natural Compounds. This chemical's molecular formula is C20H24O9 and molecular weight is 424.40. It is family of bioactive terpenes treating cardiovascular and cerebrovascular diseases.
Physical properties of Ginkgolide A are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)#H bond acceptors: 11; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 169.05 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 95.71 cm3; (11)Molar Volume: 255.9 cm3; (12)Polarizability: 37.94×10-24cm3; (13)Surface Tension: 88.1 dyne/cm; (14)Density: 1.72 g/cm3; (15)Flash Point: 291.4 °C; (16)Enthalpy of Vaporization: 134.67 kJ/mol; (17)Boiling Point: 813.8 °C at 760 mmHg; (18)Vapour Pressure: 1.15E-30 mmHg at 25°C.
Uses of Ginkgolide A: it can be used to produce 10-O-acetyl-ginkgolide A at the temperature of 25 °C. It will need solvent pyridine with the reaction time of 25 hours. The yield is about 94%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O
(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-NXEZIQAASA-N