Cas no 119053-60-0 (Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI))

Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI) structure
119053-60-0 structure
Product Name:Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI)
CAS No:119053-60-0
MF:C41H66O13
MW:766.954954624176
CID:171235
Update Time:2024-03-01

Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI)
    • CornutasideD
    • Urs-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-30-hydroxy-, β-D-glucopyranosyl ester, (3β,20β)- (9CI)
    • Inchi: 1S/C41H66O13/c1-20-21(17-42)9-14-41(36(50)54-35-33(49)31(47)30(46)24(18-43)52-35)16-15-39(5)22(28(20)41)7-8-26-38(4)12-11-27(37(2,3)25(38)10-13-40(26,39)6)53-34-32(48)29(45)23(44)19-51-34/h7,20-21,23-35,42-49H,8-19H2,1-6H3/t20-,21+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1
    • InChI Key: DBEBBAAZEKXLEC-YOOBZPRASA-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@@](CC[C@@H]([C@@H]1C)CO)(C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=O)CC3)[H])C)(C)CC2)[H])(C)C

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.35±0.1 g/cm3(Predicted)
  • Boiling Point: 847.9±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 12.52±0.70(Predicted)

Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-30-hydroxy-,b-D-glucopyranosyl ester, (3b,20b)- (9CI) Related Literature

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