Cas no 109742-54-3 (Urs-12-ene-23,28-dioicacid, 2,3,19,24-tetrahydroxy-, 28-b-D-glucopyranosyl ester, (2a,3b,4a)- (9CI))
109742-54-3 structure
Product Name:Urs-12-ene-23,28-dioicacid, 2,3,19,24-tetrahydroxy-, 28-b-D-glucopyranosyl ester, (2a,3b,4a)- (9CI)
CAS No:109742-54-3
MF:C36H56O13
MW:696.822052955627
CID:191643
Update Time:2024-03-01
Urs-12-ene-23,28-dioicacid, 2,3,19,24-tetrahydroxy-, 28-b-D-glucopyranosyl ester, (2a,3b,4a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Urs-12-ene-23,28-dioicacid, 2,3,19,24-tetrahydroxy-, 28-b-D-glucopyranosyl ester, (2a,3b,4a)- (9CI)
- trachelosperoside C-1
- (+)-TrachelosperosideC 1
- Trachelosperoside C 1
- Urs-12-ene-23,28-dioic acid, 2,3,19,24-tetrahydroxy-, 28-β-D-glucopyranosyl ester, (2α,3β,4α)- (9CI)
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- Inchi： 1S/C36H56O13/c1-17-8-11-35(30(46)49-28-25(42)24(41)23(40)20(15-37)48-28)13-12-32(3)18(26(35)34(17,5)47)6-7-21-31(2)14-19(39)27(43)36(16-38,29(44)45)22(31)9-10-33(21,32)4/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,31-,32-,33-,34-,35+,36+/m1/s1
- InChI Key： CFDNGAGSXAPVLK-FJAHTTHRSA-N
- SMILES： [C@@H]1(O)[C@@]([C@]2([C@](C)(C[C@H]1O)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@]1(O)C)C)(C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=O)CC3)[H])C)(C)CC2)[H])(CO)C(O)=O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.43±0.1 g/cm3(Predicted)
- Boiling Point: 837.9±65.0 °C(Predicted)
- PSA: 52.54
- pka: 3.71±0.70(Predicted)
Urs-12-ene-23,28-dioicacid, 2,3,19,24-tetrahydroxy-, 28-b-D-glucopyranosyl ester, (2a,3b,4a)- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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