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| CAS No.: | 13159-28-9 |
|---|---|
| Name: | Betulinicaldehyde |
| Molecular Structure: | |
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| Formula: | C30H48O2 |
| Molecular Weight: | 440.71 |
| Synonyms: | Lup-20(29)-en-28-al,3b-hydroxy- (8CI);Lup-20(30)-en-28-al, 3b-hydroxy- (7CI);3aH-Cyclopenta[a]chrysene, lup-20(29)-en-28-al deriv.;Betulinal;Betulinaldehyde;Betulinic aldehyde;Betunal;NSC 250423; |
| Density: | 1.042 g/cm3 |
| Melting Point: | 183-187 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 513.909 °C at 760 mmHg |
| Flash Point: | 217.385 °C |
| PSA: | 37.30000 |
| LogP: | 7.20380 |
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Specification
The 3beta-Hydroxy-Lup-20(30)-en-28-al with the cas number 13159-28-9, is also called (3beta)-3-hydroxylup-20(29)-en-28-al. The properties of the chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 26.3Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 133.68 cm3; (7)Molar Volume: 423.1 cm3; (8)Polarizability: 52.99×10-24cm3; (9)Surface Tension: 40.1 dyne/cm; (10)Enthalpy of Vaporization: 90.41 kJ/mol; (11)Vapour Pressure: 1.04×10-12 mmHg at 25°C .
You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5
(2)InChI: InChI=1/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1