Cas no 1106-20-3 (Spirost-9(11)-en-3-ol,(3b,5a,25R)- (9CI))

Spirost-9(11)-en-3-ol,(3b,5a,25R)- (9CI) structure
1106-20-3 structure
Product Name:Spirost-9(11)-en-3-ol,(3b,5a,25R)- (9CI)
CAS No:1106-20-3
MF:C27H42O3
MW:414.620588779449
CID:148340
PubChem ID:6451184
Update Time:2025-04-19

Spirost-9(11)-en-3-ol,(3b,5a,25R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Spirost-9(11)-en-3-ol,(3b,5a,25R)- (9CI)
    • (25R)-5alpha-Spirost-9(11)-en-3beta-ol
    • (25R)-5-Spirost-9(11)-en-3-ol
    • (3beta,5alpha,25R)-spirost-9(11)-en-3-ol
    • ,5&alpha
    • (3,5,25R)-3-Hydroxyspirost-9(11)-ene
    • DTXSID40911787
    • 1106-20-3
    • (1S,2S,4S,5'R,6R,7S,8R,9S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-16-ol
    • 9,11-Didehydrotigogenin
    • Spirost-9(11)-en-3-ol
    • 5alpha-Spirost-9(11)-en-3beta-ol, (25R)-
    • Tigogenin, 9,11-didehydro-
    • Inchi： 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h9,16-20,22-24,28H,5-8,10-15H2,1-4H3/t16-,17+,18+,19+,20-,22+,23+,24+,25+,26+,27-/m1/s1
    • InChI Key： QCVKYDNFSXDPSW-NGAWEBMDSA-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@H]4C[C@H](CC[C@]4(C)C3=CC[C@@]12C)O

Computed Properties

  • Exact Mass: 414.31339520g/mol
  • Monoisotopic Mass: 414.31339520g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 0
  • Complexity: 746
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.6
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • Color/Form: Crystallization.

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