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Cas Database |
| Name |
Darutigenol |
EINECS | N/A |
| CAS No. | 5940-00-1 | Density | 1.406 g/cm3 |
| PSA | 60.69000 | LogP | 3.27950 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H34 O3 | Boiling Point | 572 °C at 760 mmHg |
| Molecular Weight | 322.488 | Flash Point | 299.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Ethanediol,1-(2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl)-,[2S-[2a(S*),4ab,4ba,7a,8ab]]-; 1,2-Ethanediol, 1-(3a-hydroxy-13-methyl-5b,9b,10a-podocarp-8(14)-en-13a-yl)- (8CI); Darutigenol (6CI,7CI); NSC 310619 |
Article Data | 3 |
Darutigenol Chemical Properties
Molecular Structure of Darutigenol (CAS No.5940-00-1):
Molecular Formula: C20H34O3
Molecular Weight: 322.4822
CAS No: 5940-00-1
IUPAC Name: (1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.552
Molar Refractivity: 92.74 cm3
Molar Volume: 290.2 cm3
Surface Tension: 46.6 dyne/cm
Density: 1.11 g/cm3
Flash Point: 210.7 °C
Enthalpy of Vaporization: 84.61 kJ/mol
Boiling Point: 471.2 °C at 760 mmHg
Vapour Pressure: 7.35E-11 mmHg at 25°C
InChI: InChI=1/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
InChIKey: NCAZLDCEJHFJDT-KHKZNYETBQ
Std. InChI: InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
Std. InChIKey: NCAZLDCEJHFJDT-KHKZNYETSA-N
Darutigenol Specification
Darutigenol (CAS No.5940-00-1), its synonym is 1,2-Ethanediol, 1-(2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl)-, (2S-(2alpha(S*),4abeta,4balpha,7alpha,8abeta))- .
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