Cas no 132236-08-9 (b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl3-O-b-D-xylopyranosyl- (9CI))
132236-08-9 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl3-O-b-D-xylopyranosyl- (9CI)
CAS No:132236-08-9
MF:C40H60O13
MW:748.896614074707
CID:233223
Update Time:2024-03-01
b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl3-O-b-D-xylopyranosyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl3-O-b-D-xylopyranosyl- (9CI)
- 28,30-Dinoroleanane,b-D-glucopyranosiduronic acidderiv.
- Boussingoside D1
- β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl 3-O-β-D-xylopyranosyl- (9CI)
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- Inchi： 1S/C40H60O13/c1-19-9-14-40(35(48)49)16-15-38(5)20(21(40)17-19)7-8-24-37(4)12-11-25(36(2,3)23(37)10-13-39(24,38)6)51-34-29(45)30(28(44)31(53-34)32(46)47)52-33-27(43)26(42)22(41)18-50-33/h7,21-31,33-34,41-45H,1,8-18H2,2-6H3,(H,46,47)(H,48,49)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,37-,38+,39+,40-/m0/s1
- InChI Key： JNXHXAHVUZXQNY-YXZITQSGSA-N
- SMILES： C[C@@]12CC[C@@]3([H])C([C@@H](O[C@]4([H])O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@]5([H])OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(=C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.37±0.1 g/cm3(Predicted)
- Boiling Point: 895.6±65.0 °C(Predicted)
- PSA: 52.54
- pka: 2.75±0.70(Predicted)
b-D-Glucopyranosiduronic acid, (3b)-17-carboxy-28,30-dinoroleana-12,20(29)-dien-3-yl3-O-b-D-xylopyranosyl- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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