Cas no 123564-67-0 (b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-b-D-galactopyranosyl- (9CI))
123564-67-0 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-b-D-galactopyranosyl- (9CI)
CAS No:123564-67-0
MF:C42H66O15
MW:810.964455127716
CID:162747
Update Time:2024-03-01
b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-b-D-galactopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-b-D-galactopyranosyl- (9CI)
- 28-Noroleanane,b-D-glucopyranosiduronic acidderiv.
- Udosaponin E
- β-D-Glucopyranosiduronic acid, (3β,4α)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-β-D-galactopyranosyl- (9CI)
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- Inchi： 1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30+,31-,32+,34-,35+,38-,39+,40+,41+,42-/m0/s1
- InChI Key： MCLUQKRKQOMREQ-DDAAMQFPSA-N
- SMILES： O([C@H]1[C@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@](C(O)=O)(CC[C@](C1)(C)C)CC3)[H])C)(C)CC2)[H])(C)CO)[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.40±0.1 g/cm3(Predicted)
- Boiling Point: 943.0±65.0 °C(Predicted)
- PSA: 52.54
- pka: 2.76±0.70(Predicted)
b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 2-O-b-D-galactopyranosyl- (9CI) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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