Cas no 64971-21-7 ((2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol)

(2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol structure
64971-21-7 structure
Product Name:(2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
CAS No:64971-21-7
MF:C30H52O4
MW:476.731490135193
CID:507737
Update Time:2024-03-01

(2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol Chemical and Physical Properties

Names and Identifiers

    • Lanost-8-ene-2,3,24,25-tetrol,(2a,3b,24R)- (9CI)
    • (24R)-5α-Lanost-8-ene-2α,3β,24,25-tetraol
    • 3-(4-chlorophenyl)-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
    • (2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,
    • 2alpha,3beta,24(R),25-Tetrahydroxylanost-8-ene
    • (2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol
    • Inchi： 1S/C30H52O4/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h18-19,22-25,31-34H,9-17H2,1-8H3/t18-,19-,22-,23?,24-,25+,28-,29-,30+/m1/s1
    • InChI Key： ZJBUVOQLORAVHG-TXDNQYDSSA-N
    • SMILES： O[C@H]1[C@@H](C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](C(C)(C)O)O)CC[C@@]4(C)C=3CCC2C1(C)C)O

Computed Properties

  • Exact Mass: 476.387
  • Monoisotopic Mass: 476.387
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 5
  • Complexity: 830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.9
  • XLogP3: 7.049

Experimental Properties

  • Density: 1.1
  • Boiling Point: 580.4°Cat760mmHg
  • Flash Point: 235.3°C
  • Refractive Index: 1.553

(2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol Related Literature

Related Categories

64971-21-7 ((2R,3R,10S,13R,14R,17R)-17-[(2R,5R)-5,6-Dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3-diol) Related Products

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