Cas no 82858-80-8 ((3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one)

(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one structure
82858-80-8 structure
Product Name:(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one
CAS No:82858-80-8
MF:C31H50O2
MW:454.727509975433
CID:988252
PubChem ID:339159
Update Time:2025-04-20

(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one Chemical and Physical Properties

Names and Identifiers

    • (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one
    • 82858-80-8
    • NSC-364304
    • DTXSID10320786
    • NSC364304
    • Inchi： 1S/C31H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-18-31(22(4)19-33-28(31)32)17-16-29(23,5)27(24)14-15-30(25,26)6/h20-21,23-27H,4,7-19H2,1-3,5-6H3/t21-,23+,24+,25?,26+,27+,29+,30-,31-/m1/s1
    • InChI Key： BRCTWLYAPIRUFE-UBNLINRESA-N
    • SMILES： O1CC(=C)[C@@]2(C1=O)CC[C@@]1(C)[C@H](C2)CC[C@@H]2[C@@H]1CC[C@]1(C)C([C@H](C)CCCC(C)C)CC[C@@H]21

Computed Properties

  • Exact Mass: 454.381080833g/mol
  • Monoisotopic Mass: 454.381080833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 784
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.9
  • Topological Polar Surface Area: 26.3?2

(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one Related Literature

Related Categories

82858-80-8 ((3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-2'-one) Related Products

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