Cas no 468-17-7 (Glaucorigenin)
Glaucorigenin structure
Product Name:Glaucorigenin
CAS No:468-17-7
MF:C23H32O6
MW:404.496587753296
CID:329062
Update Time:2024-04-12
Glaucorigenin Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,14,16-trihydroxy-19-oxo-, (3b,5b,16b)- (9CI)
- 19-Oxo-3β,14,16β-trihydroxy-5β-card-20(22)-enolide
- adonitoxigenin
- LMST01120009
- Q27120657
- Glaucorigenin
-
- Inchi： 1S/C23H32O6/c1-21-6-5-16-17(3-2-14-9-15(25)4-7-22(14,16)12-24)23(21,28)10-18(26)20(21)13-8-19(27)29-11-13/h8,12,14-18,20,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16+,17-,18+,20+,21-,22-,23+/m1/s1
- InChI Key： IMQSXGFUSQSPIM-IMLMFIFQSA-N
- SMILES： O[C@]12C[C@@H]([C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C=O)CC[C@@H](C[C@H]3CC[C@@H]21)O)O
- BRN： 0056480
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 763
- XLogP3: 0.2
- Topological Polar Surface Area: 104
Glaucorigenin Related Literature
-
1. 705. Steroids. Part XVII. The structure of diginin and diginigeninC. W. Shoppee,Ruth E. Lack,A. V. Robertson J. Chem. Soc. 1962 3610
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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