Cas no 123619-12-5 (Urs-19(29)-en-3-ol, (3a)- (9CI))

Urs-19(29)-en-3-ol, (3a)- (9CI) structure
123619-12-5 structure
Product Name:Urs-19(29)-en-3-ol, (3a)- (9CI)
CAS No:123619-12-5
MF:C30H50O
MW:426.717409610748
CID:176920
Update Time:2024-03-01

Urs-19(29)-en-3-ol, (3a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Urs-19(29)-en-3-ol, (3a)- (9CI)
    • a-Calotropeol
    • Urs-19(29)-en-3-ol, (3α)- (9CI)
    • Inchi： 1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19,21-25,31H,2,9-18H2,1,3-8H3/t19-,21-,22+,23-,24-,25+,27-,28+,29-,30-/m1/s1
    • InChI Key： FPEQZEXTCWHNGF-YPWCVGLHSA-N
    • SMILES： [C@H]1(O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1([C@@](CC[C@H](C1=C)C)(C)CC3)[H])C)(C)CC2)[H])(C)C

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.00±0.1 g/cm3(Predicted)
  • Melting Point: 204-205 °C
  • Boiling Point: 488.2±14.0 °C(Predicted)
  • PSA: 52.54
  • pka: 15.19±0.70(Predicted)

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