Product Name

  • Name

    7,7-Ethylenedithio-3β-(acetyloxy)-11-oxo-5α-lanostane

  • EINECS
  • CAS No. 56259-20-2
  • Article Data2
  • CAS DataBase
  • Density 1.1 g/cm3
  • Solubility
  • Melting Point
  • Formula C34H56O3S2
  • Boiling Point 620.5 °C at 760 mmHg
  • Molecular Weight 576.94
  • Flash Point 289.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 56259-20-2 (7,7-Ethylenedithio-3β-(acetyloxy)-11-oxo-5α-lanostane)
  • Hazard Symbols
  • Synonyms 7,7-Ethylenedithio-3β-(acetyloxy)-11-oxo-5α-lanostane
  • PSA 93.97000
  • LogP 9.03080

Lanostane-7,11-dione,3-(acetyloxy)-, cyclic 7-(1,2-ethanediyl dithioacetal), (3β)- Specification

The Lanostane-7,11-dione,3-(acetyloxy)-, cyclic 7-(1,2-ethanediyl dithioacetal), (3β)- has CAS registry number 56259-20-2. This chemical's molecular formula is C34H56O3S2 and molecular weight is 576.94. What's more, its systematic name is (3S,5R,8R,9S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-11-oxohexadecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dithiolan]-3-yl acetate.

Physical properties of Lanostane-7,11-dione,3-(acetyloxy)-, cyclic 7-(1,2-ethanediyl dithioacetal), (3β)- are: (1)ACD/LogP: 9.92; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 93.97 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 167.15 cm3; (9)Molar Volume: 523.1 cm3; (10)Polarizability: 66.26×10-24cm3; (11)Surface Tension: 43.9 dyne/cm; (12)Density: 1.1 g/cm3; (13)Flash Point: 289.8 °C; (14)Enthalpy of Vaporization: 91.96 kJ/mol; (15)Boiling Point: 620.5 °C at 760 mmHg; (16)Vapour Pressure: 2.54E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C[C@@]1([C@@H]([C@H](C)CCCC(C)C)CC[C@]1([C@@H]4C2(SCCS2)C[C@@H]5[C@@](C)([C@@H]34)CC[C@H](OC(=O)C)C5(C)C)C)C
(2)Std. InChI: InChI=1S/C34H56O3S2/c1-21(2)11-10-12-22(3)24-13-16-32(8)29-28(25(36)19-33(24,32)9)31(7)15-14-27(37-23(4)35)30(5,6)26(31)20-34(29)38-17-18-39-34/h21-22,24,26-29H,10-20H2,1-9H3/t22-,24-,26+,27+,28+,29-,31+,32+,33-/m1/s1
(3)Std. InChIKey: LPDXBLLOEUPHNO-HBXSWFQYSA-N

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