Cas no 91291-47-3 (Spirost-5-ene-3,14-diol,(3b,25S)- (9CI))

Spirost-5-ene-3,14-diol,(3b,25S)- (9CI) structure
91291-47-3 structure
Product Name:Spirost-5-ene-3,14-diol,(3b,25S)- (9CI)
CAS No:91291-47-3
MF:C27H42O4
MW:430.619988918304
CID:817313
Update Time:2024-03-01

Spirost-5-ene-3,14-diol,(3b,25S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Spirost-5-ene-3,14-diol,(3b,25S)- (9CI)
    • Spirost-5-ene-3,14-diol, (3β,25S)-
    • Inchi: 1S/C27H42O4/c1-16-7-12-27(30-15-16)17(2)23-22(31-27)14-26(29)21-6-5-18-13-19(28)8-10-24(18,3)20(21)9-11-25(23,26)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19-,20-,21+,22-,23-,24-,25+,26+,27+/m0/s1
    • InChI Key: WWHAXDOZLPIUEY-ZONFJZJOSA-N
    • SMILES: [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3(O)[C@@](CC1)(C)[C@]1([C@H](C)[C@@]4(CC[C@H](C)CO4)O[C@@]1([H])C3)[H])CC=2

Experimental Properties

  • Density: 1.18±0.1 g/cm3(Predicted)
  • Boiling Point: 561.1±50.0 °C(Predicted)
  • pka: 14.34±0.70(Predicted)

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