Cas no 117804-14-5 (b-D-Glucopyranosiduronic acid, (3b,21b)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI))
117804-14-5 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,21b)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI)
CAS No:117804-14-5
MF:C41H64O14
MW:780.938474655151
CID:149114
Update Time:2024-03-01
b-D-Glucopyranosiduronic acid, (3b,21b)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranosiduronic acid, (3b,21b)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI)
- 28-Noroleanane,b-D-glucopyranosiduronic acidderiv.
- Cynarasaponin I
- β-D-Glucopyranosiduronic acid, (3β,21β)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
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- Inchi： 1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)17-24(36)43)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,33-,34+,38-,39+,40+,41+/m0/s1
- InChI Key： PMJRGIRMYJDHCH-DDGXEWOESA-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)(C[C@@H](O)[C@](C1)(C)C)CC3)[H])C)(C)CC2)[H])(C)C)[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.38±0.1 g/cm3(Predicted)
- Boiling Point: 904.8±65.0 °C(Predicted)
- PSA: 52.54
- pka: 2.76±0.70(Predicted)
b-D-Glucopyranosiduronic acid, (3b,21b)-17-carboxy-21-hydroxy-28-norolean-12-en-3-yl 2-O-a-L-arabinopyranosyl- (9CI) Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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