16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide (CAS 11005-49-5) — formula C32H42O12, molecular weight 618.7; category organic chemicals.
| CAS Number | 11005-49-5 |
|---|---|
| Molecular Formula | C32H42O12 |
| Molecular Weight | 618.7 |
| LogP | -0.1 |
| Category | Organic Chemicals |
16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide is a carbon-based organic compound with CAS registry number 11005-49-5 and molecular formula C32H42O12 (molecular weight 618.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 11005-49-5
Its molecular formula C32H42O12 comprises 32 C, 42 H, 12 O atoms.
Also known as: 16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide · 化合物 T34585
Category: organic chemicals
The CAS registry number of 16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide is 11005-49-5.
Molecular formula C32H42O12, molecular weight 618.7.
It is also registered under: 16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide, 化合物 T34585.
Category: Organic Chemicals.
Independent reference data for 16β-Acetoxy-5-(β-D-glucopyranosyloxy)-14-hydroxy-19-oxo-5β-bufa-3,20,22-trienolide (CAS 11005-49-5), compiled from public chemistry databases.
| CAS 号 | 11005-49-5 |
|---|---|
| PubChem CID | 25436 |
| 分子式 | C32H42O12 |
| IUPAC 名称 | [(5S,10S,13R,14S,16S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate |
| Molecular Weight | 618.7 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 618.26762677 |
| Monoisotopic Mass | 618.26762677 |
| Topological Polar Surface Area | 189 |
| Heavy Atom Count | 44 |
Scillicyanoside; 11005-49-5; RefChem:181886; Scillicyanosid [German]; Scillicyanosid; BRN 0075059; 4-18-00-03248 (Beilstein Handbook Reference); DTXSID90911474; 5-beta,16-beta-Bufa-3,20,22-trienolide, 16-(acetyloxy)-5-(beta-D-glucopyranosyloxy)-14-hydroxy-19-oxo-; 16-(Acetyloxy)-5-(hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide
化合物 T34585 · CAS 11005-49-5 · C32H42O12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 T34585