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19533-92-7

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Basic Information
CAS No.: 19533-92-7
Name: 2α,3β-Dihydroxylup-20(29)-en-28-oic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 19533-92-7 (2α,3β-Dihydroxylup-20(29)-en-28-oic acid)
Formula: C30H46O4
Molecular Weight: 470.68
Synonyms: Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-;
Density: 1.15 g/cm3
Boiling Point: 578.6 °C at 760 mmHg
Flash Point: 317.8 °C
PSA: 77.76000
LogP: 6.06030
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Specification

The Alphitolic acid has the CAS registry number 19533-92-7. This chemical's molecular formula is C30H46O4 and molecular weight is 470.68. What's more, its systematic name is Lup-20(29)-en-28-oic acid, 2,3-dihydroxy-.

Physical properties of Alphitolic acid are: (1)ACD/LogP: 7.42; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 134.59 cm3; (9)Molar Volume: 408.1 cm3; (10)Polarizability: 53.35 10-24cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 317.8 °C; (14)Enthalpy of Vaporization: 99.43 kJ/mol; (15)Boiling Point: 578.6 °C at 760 mmHg; (16)Vapour Pressure: 8.46E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C1CCC2(C1C3=CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O
(2)InChI: InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,18,20-24,31-32H,1,9-16H2,2-7H3,(H,33,34)/t18-,20+,21?,22?,23?,24-,27-,28+,29+,30-/m0/s1 CopyCopied
(3)InChIKey: YVFUWFRLVWFNLF-LAYMWGLGSA-N