Product Name

  • Name

    (20S,24S)-20,24-Epoxydammarane-3β,25-diol

  • EINECS
  • CAS No. 19942-04-2
  • Article Data5
  • CAS DataBase
  • Density 1.039 g/cm3
  • Solubility
  • Melting Point
  • Formula C30H52O3
  • Boiling Point 533.6 °C at 760 mmHg
  • Molecular Weight 460.73
  • Flash Point 276.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 19942-04-2 ((20S,24S)-20,24-Epoxydammarane-3β,25-diol)
  • Hazard Symbols
  • Synonyms (20S,24S)-20,24-Epoxydammarane-3β,25-diol;3-Epicabraleadiol;(3β)-20,24-Epoxydammarane-3,25-diol;Cabraleadiol, 3-epi-;Ocotillol II;
  • PSA 49.69000
  • LogP 6.74100

Dammarane-3,25-diol, 20,24-epoxy-, (3β)- Specification

The Dammarane-3,25-diol, 20,24-epoxy-, (3β)-, with the CAS registry number 19942-04-2, is also known as Ocotillol II. This chemical's molecular formula is C30H52O3 and molecular weight is 460.73. What's more, its systematic name is (3β)-20,24-epoxydammarane-3,25-diol.

Physical properties of Dammarane-3,25-diol, 20,24-epoxy-, (3β)- are: (1)ACD/LogP: 7.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.9; (4)ACD/LogD (pH 7.4): 7.9; (5)ACD/BCF (pH 5.5): 598068; (6)ACD/BCF (pH 7.4): 598068; (7)ACD/KOC (pH 5.5): 474863.72; (8)ACD/KOC (pH 7.4): 474863.72; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.69 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 135.1 cm3; (15)Molar Volume: 443.3 cm3; (16)Polarizability: 53.55×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 276.5 °C; (20)Enthalpy of Vaporization: 93.12 kJ/mol; (21)Boiling Point: 533.6 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]1([C@H](CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]4[C@]5(OC(CC5)C(O)(C)C)C)C)C)C)O)C
(2)InChI: InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24?,27+,28-,29-,30+/m1/s1
(3)InChIKey: RQBNSDSKUAGBOI-LUXRWEIQSA-N

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