3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide (CAS 4064-09-9) — formula C26H34O7, molecular weight 458.5; category organic chemicals.
| CAS Number | 4064-09-9 |
|---|---|
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.5 |
| LogP | 1.8 |
| Category | Organic Chemicals |
3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide is a carbon-based organic compound with CAS registry number 4064-09-9 and molecular formula C26H34O7 (molecular weight 458.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4064-09-9
Its molecular formula C26H34O7 comprises 26 C, 34 H, 7 O atoms.
Also known as: 3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide · 3β-乙酰氧基-5,14-二羟基-19-氧代-5β-bufa-20,22-二烯内酯
Category: organic chemicals
The CAS registry number of 3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide is 4064-09-9.
Molecular formula C26H34O7, molecular weight 458.5.
It is also registered under: 3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide, 3β-乙酰氧基-5,14-二羟基-19-氧代-5β-bufa-20,22-二烯内酯.
Category: Organic Chemicals.
Independent reference data for 3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide (CAS 4064-09-9), compiled from public chemistry databases.
| CAS 号 | 4064-09-9 |
|---|---|
| PubChem CID | 19985 |
| 分子式 | C26H34O7 |
| IUPAC 名称 | [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| Molecular Weight | 458.5 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 458.23045342 |
| Monoisotopic Mass | 458.23045342 |
| Topological Polar Surface Area | 110 |
| Heavy Atom Count | 33 |
HELLEBRIGENIN-3-ACETATE; NSC 106676; BRN 0065090; 19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide-3-acetate; 5beta-Bufa-20,22-dienolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-, 3-ACETATE; Bufa-20,22-dienolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-; 4-18-00-03180 (Beilstein Handbook Reference)
3β-乙酰氧基-5,14-二羟基-19-氧代-5β-bufa-20,22-二烯内酯 · CAS 4064-09-9 · C26H34O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.