Cas no 7263-26-5 (O-Acetyl-gitaloxin)
O-Acetyl-gitaloxin structure
Product Name:O-Acetyl-gitaloxin
CAS No:7263-26-5
MF:C44H66O16
MW:850.985255718231
CID:2038134
PubChem ID:46173821
Update Time:2025-04-21
O-Acetyl-gitaloxin Chemical and Physical Properties
Names and Identifiers
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- O-Acetyl-gitaloxin
- DTXSID90672997
- 7263-26-5
- (3beta,5beta,16beta)-3-{[3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide
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- Inchi： 1S/C44H66O16/c1-21-39(50)32(57-24(4)46)17-37(54-21)60-41-23(3)56-36(16-31(41)48)59-40-22(2)55-35(15-30(40)47)58-27-9-11-42(5)26(14-27)7-8-29-28(42)10-12-43(6)38(25-13-34(49)52-19-25)33(53-20-45)18-44(29,43)51/h13,20-23,26-33,35-41,47-48,50-51H,7-12,14-19H2,1-6H3
- InChI Key： IWYJZMJWGNUJBE-UHFFFAOYSA-N
- SMILES： CC1C(O)C(OC(=O)C)CC(OC2C(C)OC(OC3C(C)OC(OC4CC5CCC6C7(C(C(C8COC(=O)C=8)C(OC=O)C7)(C)CCC6C5(C)CC4)O)CC3O)CC2O)O1
Computed Properties
- Exact Mass: 850.43508601Da
- Monoisotopic Mass: 850.43508601Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 60
- Rotatable Bond Count: 11
- Complexity: 1630
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 21
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 215?2
O-Acetyl-gitaloxin Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
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