Cas no 111036-41-0 (Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI))
![Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI) structure](https://ossimg.kuujia.com/scimg/111500/111036-41-0x500.png)
111036-41-0 structure
Product Name:Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI)
CAS No:111036-41-0
MF:C38H66O13
MW:730.922853946686
CID:179266
Update Time:2024-03-01
Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI)
- CrossasterosideC
- Cholestane-3,6,8,15-tetrol, 24-[[5-O-(4-O-methyl-β-D-xylopyranosyl)-α-L-arabinofuranosyl]oxy]-, (3β,5α,6α,15α,24S)- (9CI)
-
- Inchi： 1S/C38H66O13/c1-18(2)25(50-35-32(45)30(43)27(51-35)17-49-34-31(44)29(42)26(47-6)16-48-34)8-7-19(3)21-14-23(40)33-37(21,5)12-10-28-36(4)11-9-20(39)13-22(36)24(41)15-38(28,33)46/h18-35,39-46H,7-17H2,1-6H3/t19-,20+,21-,22-,23+,24+,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,35-,36+,37-,38+/m1/s1
- InChI Key： JNUZEPNDXMIFQN-WWKUVJIQSA-N
- SMILES： [C@@H]1(O)C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@](O)([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@H](O[C@@H]1O[C@@H](CO[C@@H]4OC[C@@H](OC)[C@H](O)[C@H]4O)[C@H](O)[C@H]1O)C(C)C)C[C@@H]3O)C[C@@H]2O
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Boiling Point: 863.6±65.0 °C(Predicted)
- PSA: 52.54
- pka: 12.94±0.70(Predicted)
Cholestane-3,6,8,15-tetrol,24-[[5-O-(4-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,5a,6a,15a,24S)- (9CI) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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