Cas no 158848-20-5 (Urs-12-en-28-oic acid,2,3,19-trihydroxy-23-oxo-, b-D-glucopyranosyl ester, (2a,3b,4a)-)
158848-20-5 structure
Product Name:Urs-12-en-28-oic acid,2,3,19-trihydroxy-23-oxo-, b-D-glucopyranosyl ester, (2a,3b,4a)-
CAS No:158848-20-5
MF:C36H56O11
MW:664.823252677917
CID:171509
PubChem ID:190934
Update Time:2025-04-19
Urs-12-en-28-oic acid,2,3,19-trihydroxy-23-oxo-, b-D-glucopyranosyl ester, (2a,3b,4a)- Chemical and Physical Properties
Names and Identifiers
-
- Urs-12-en-28-oic acid,2,3,19-trihydroxy-23-oxo-, b-D-glucopyranosyl ester, (2a,3b,4a)-
- 1-O-[(2alpha,3beta)-2,3,19-trihydroxy-23,28-dioxours-12-en-28-yl]-beta-D-glucopyranose
- Glucosyl 23-formyl-2,3,19-trihydroxyurs-12-en-28-oate
- Pinfaensin
- Urs-12-en-28-oic acid, 2,3,19-trihydroxy-23-oxo-, beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-
- DTXSID90936006
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 158848-20-5
- 1-O-(2,3,19-Trihydroxy-23,28-dioxours-12-en-28-yl)hexopyranose
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- Inchi： 1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
- InChI Key： YZANFWDKMDESHV-JVJIQXRHSA-N
- SMILES： O[C@]1(C)[C@H](C)CC[C@]2(C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H]([C@@H]([C@](C=O)(C)[C@@H]5CC[C@]43C)O)O)[C@@H]21
Computed Properties
- Exact Mass: 664.38226260g/mol
- Monoisotopic Mass: 664.38226260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 47
- Rotatable Bond Count: 5
- Complexity: 1310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 194?2
Urs-12-en-28-oic acid,2,3,19-trihydroxy-23-oxo-, b-D-glucopyranosyl ester, (2a,3b,4a)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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