Cas no 86533-46-2 (Spirost-5-en-3-ol,6-methyl-, (3b,25R)-(9CI))

Spirost-5-en-3-ol,6-methyl-, (3b,25R)-(9CI) structure
86533-46-2 structure
Product Name:Spirost-5-en-3-ol,6-methyl-, (3b,25R)-(9CI)
CAS No:86533-46-2
MF:C28H44O3
MW:428.647169113159
CID:724025
PubChem ID:21122085
Update Time:2025-04-19

Spirost-5-en-3-ol,6-methyl-, (3b,25R)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Spirost-5-en-3-ol,6-methyl-, (3b,25R)-(9CI)
    • 5,25R-SPIROSTEN-6-METHYL-3B-OL
    • 6-METHYLDIOSGENIN
    • 5,25R-SPIROSTEN-6-METHYL-3BETA-OL
    • Spirost-5-en-3-ol, 6-methyl-, (3beta,25R)-
    • 86533-46-2
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13,19-Pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
    • FT-0642047
    • 5',7,9,13,19-Pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
    • CYANOACETONESODIUMSALT
    • Inchi： 1S/C28H44O3/c1-16-6-11-28(30-15-16)18(3)25-24(31-28)14-23-20-12-17(2)22-13-19(29)7-9-26(22,4)21(20)8-10-27(23,25)5/h16,18-21,23-25,29H,6-15H2,1-5H3/t16-,18+,19+,20-,21+,23+,24+,25+,26-,27+,28-/m1/s1
    • InChI Key： RJQCTQMDJCNDGK-RKZZQTKVSA-N
    • SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC(C)=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O

Computed Properties

  • Exact Mass: 428.32900
  • Monoisotopic Mass: 428.32904526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 0
  • Complexity: 789
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.69000
  • LogP: 6.10400

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