Cas no 147235-21-0 (Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-19,23-dihydroxy-,b-D-glucopyranosyl ester, (3b,4a)- (9CI))
147235-21-0 structure
Product Name:Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-19,23-dihydroxy-,b-D-glucopyranosyl ester, (3b,4a)- (9CI)
CAS No:147235-21-0
MF:C41H66O14
MW:782.954354763031
CID:144123
Update Time:2024-03-01
Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-19,23-dihydroxy-,b-D-glucopyranosyl ester, (3b,4a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-19,23-dihydroxy-,b-D-glucopyranosyl ester, (3b,4a)- (9CI)
- IlekudinosideD
- Ilexoside XXVII
- Urs-12-en-28-oic acid, 3-(α-L-arabinopyranosyloxy)-19,23-dihydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
- Ilexoside XXXVII
-
- Inchi： 1S/C41H66O14/c1-20-9-14-41(35(50)55-34-31(49)29(47)28(46)23(17-42)53-34)16-15-38(4)21(32(41)40(20,6)51)7-8-25-36(2)12-11-26(54-33-30(48)27(45)22(44)18-52-33)37(3,19-43)24(36)10-13-39(25,38)5/h7,20,22-34,42-49,51H,8-19H2,1-6H3
- InChI Key： OQQOYQUBUVPAAU-UHFFFAOYSA-N
- SMILES： CC1C(O)(C)C2C(C(OC3C(O)C(O)C(O)C(CO)O3)=O)(CCC3(C4(C(C5(C(CC4)C(CO)(C)C(OC4C(O)C(O)C(O)CO4)CC5)C)CC=C32)C)C)CC1
Computed Properties
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 55
- XLogP3: 3.475
Urs-12-en-28-oic acid,3-(a-L-arabinopyranosyloxy)-19,23-dihydroxy-,b-D-glucopyranosyl ester, (3b,4a)- (9CI) Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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