Cas no 125003-15-8 (30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,(3b,4a)- (9CI))

30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,(3b,4a)- (9CI) structure
125003-15-8 structure
Product Name:30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,(3b,4a)- (9CI)
CAS No:125003-15-8
MF:C34H52O8
MW:588.771891593933
CID:201023
Update Time:2024-03-01

30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,(3b,4a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-23-hydroxy-,(3b,4a)- (9CI)
    • (+)-QuinatosideA
    • Quinatoside A
    • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-(α-L-arabinopyranosyloxy)-23-hydroxy-, (3β,4α)-
    • Inchi： 1S/C34H52O8/c1-19-8-13-34(29(39)40)15-14-32(4)20(21(34)16-19)6-7-24-30(2)11-10-25(42-28-27(38)26(37)22(36)17-41-28)31(3,18-35)23(30)9-12-33(24,32)5/h6,21-28,35-38H,1,7-18H2,2-5H3,(H,39,40)/t21-,22-,23+,24+,25-,26-,27+,28-,30-,31-,32+,33+,34-/m0/s1
    • InChI Key： HSJBIEXPKJNURK-QTXWJJEBSA-N
    • SMILES： [C@@H]1(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)CO

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.27±0.1 g/cm3(Predicted)
  • Boiling Point: 726.0±60.0 °C(Predicted)
  • PSA: 52.54
  • pka: 4.51±0.70(Predicted)

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Related Categories

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