15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester (CAS 41451-76-7) — formula C28H30O11, molecular weight 542.5; category organic chemicals.
| CAS Number | 41451-76-7 |
|---|---|
| Molecular Formula | C28H30O11 |
| Molecular Weight | 542.5 |
| LogP | 1.1 |
| Category | Organic Chemicals |
15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester is a carbon-based organic compound with CAS registry number 41451-76-7 and molecular formula C28H30O11 (molecular weight 542.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 41451-76-7
Its molecular formula C28H30O11 comprises 28 C, 30 H, 11 O atoms.
Also known as: 15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester · 鸦胆他宁
Category: organic chemicals
The CAS registry number of 15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester is 41451-76-7.
Molecular formula C28H30O11, molecular weight 542.5.
It is also registered under: 15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester, 鸦胆他宁.
Category: Organic Chemicals.
Independent reference data for 15β-Benzoyloxy-13,20-epoxy-3,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester (CAS 41451-76-7), compiled from public chemistry databases.
| CAS 号 | 41451-76-7 |
|---|---|
| PubChem CID | 3084828 |
| 分子式 | C28H30O11 |
| IUPAC 名称 | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-benzoyloxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate |
| Molecular Weight | 542.5 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 542.17881177 |
| Monoisotopic Mass | 542.17881177 |
| Topological Polar Surface Area | 166 |
| Heavy Atom Count | 39 |
BRUCEANTARIN; 41451-76-7; RefChem:121726; NSC 175399; 15beta-Benzoyloxy-13,20-epoxy-3,11beta,12alpha-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester; 15|A-Benzoyloxy-13,20-epoxy-3,11|A,12|A-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester; orb1941958; DTXSID50397891; HY-N10591; NSC175399; NSC-175399; DA-61910; CS-0616219; T82812; Methyl 15beta-(benzoyloxy)-3,11beta,12alpha-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
鸦胆他宁 · CAS 41451-76-7 · C28H30O11.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 鸦胆他宁