Cas no 78887-72-6 (momordicoside C)
momordicoside C structure
Product Name:momordicoside C
CAS No:78887-72-6
MF:C42H72O14
MW:801.0126953125
CID:1995109
PubChem ID:78157240
Update Time:2025-04-21
momordicoside C Chemical and Physical Properties
Names and Identifiers
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- momordicoside C
- DTXSID201316880
- CHEBI:145191
- CHEMBL2335921
- 78887-72-6
-
- Inchi： 1S/C42H72O14/c1-20(17-24(44)35(51)39(4,5)52)21-13-14-42(8)27-11-9-22-23(40(27,6)15-16-41(21,42)7)10-12-28(38(22,2)3)56-37-34(50)32(48)30(46)26(55-37)19-53-36-33(49)31(47)29(45)25(18-43)54-36/h9,20-21,23-37,43-52H,10-19H2,1-8H3/t20-,21-,23-,24?,25-,26-,27-,28+,29-,30-,31+,32+,33-,34-,35?,36-,37+,40+,41-,42+/m1/s1
- InChI Key： MKORKSXRXHAVFX-GAKVBPSZSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O)[C@H]1CC[C@@H]2C(C1(C)C)=CC[C@@H]1[C@@]2(C)CC[C@]2(C)[C@@H]([C@H](C)CC(C(C(C)(C)O)O)O)CC[C@]21C
Computed Properties
- Exact Mass: 800.49220697g/mol
- Monoisotopic Mass: 800.49220697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 56
- Rotatable Bond Count: 11
- Complexity: 1410
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 20
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 239?2
momordicoside C Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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