Cas no 114906-73-9 (30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-)
114906-73-9 structure
Product Name:30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-
CAS No:114906-73-9
MF:C52H82O21
MW:1043.19489908218
CID:148124
PubChem ID:163950
Update Time:2025-04-19
30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- 30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyrano...
- ciwujianoside C1
- 3-(alpha-L-Arabinopyranosyloxy)-30-noroleana-12,20(29)-dien-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-B-D-glucopyranosyl ester
- 30-Noroleana-12,20(29)-dien-28-oic acid, 3-(alpha-L-arabinopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-
- 30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®
- 4)-O-b-D-glucopyranosyl-(1®
- 6)-b-D-glucopyranosyl ester, (3b)-
- 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-1-O-{
- 114906-73-9
- DTXSID301349016
- CS-0897303
- HY-N12298
- Yemuoside YM14
- DA-72245
- 30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)-
-
- Inchi： 1S/C52H82O21/c1-22-10-15-52(47(65)73-46-40(63)36(59)34(57)28(70-46)21-67-43-41(64)37(60)42(27(19-53)69-43)72-45-39(62)35(58)32(55)23(2)68-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)71-44-38(61)33(56)26(54)20-66-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50+,51+,52-/m0/s1
- InChI Key： HMQSPQLUUHPGBG-MCVRKTBJSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]7[C@@H]([C@H]([C@@H]([C@@H](CO)O7)O[C@H]7[C@@H]([C@@H]([C@H]([C@H](C)O7)O)O)O)O)O)O6)O)O)O)CCC(=C)C[C@H]5C4=CC[C@@H]32)C1(C)C
Computed Properties
- Exact Mass: 1042.53496
- Monoisotopic Mass: 1042.535
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 73
- Rotatable Bond Count: 11
- Complexity: 2040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 27
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 334A^2
- XLogP3: -0.9
Experimental Properties
- Density: 1.45
- Refractive Index: 1.632
- PSA: 333.67
- LogP: -0.83860
30-Noroleana-12,20(29)-dien-28-oicacid, 3-(a-L-arabinopyranosyloxy)-,O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
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