methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate (CAS 21059-42-7) — formula C28H42O7, molecular weight 490.6; category organic chemicals.
| CAS Number | 21059-42-7 |
|---|---|
| Molecular Formula | C28H42O7 |
| Molecular Weight | 490.6 |
| LogP | 4.6 |
| Category | Organic Chemicals |
methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is a carbon-based organic compound with CAS registry number 21059-42-7 and molecular formula C28H42O7 (molecular weight 490.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21059-42-7
Its molecular formula C28H42O7 comprises 28 C, 42 H, 7 O atoms.
Also known as: methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate · 3α-[(乙氧基羰基)氧基]-7,12-二氧代-5β-胆烷-24-卵酸甲酯
Category: organic chemicals
The CAS registry number of methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is 21059-42-7.
Molecular formula C28H42O7, molecular weight 490.6.
It is also registered under: methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate, 3α-[(乙氧基羰基)氧基]-7,12-二氧代-5β-胆烷-24-卵酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate (CAS 21059-42-7), compiled from public chemistry databases.
| CAS 号 | 21059-42-7 |
|---|---|
| PubChem CID | 89425 |
| 分子式 | C28H42O7 |
| IUPAC 名称 | methyl 4-(3-ethoxycarbonyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Molecular Weight | 490.6 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 490.29305367 |
| Monoisotopic Mass | 490.29305367 |
| Topological Polar Surface Area | 96 |
| Heavy Atom Count | 35 |
21059-42-7; EINECS 244-184-2; Methyl 3alpha-((ethoxycarbonyl)oxy)-7,12-dioxo-5beta-cholan-24-oate; methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate; RefChem:355184; 244-184-2; methyl 3-[(ethoxycarbonyl)oxy]-7,12-dioxocholan-24-oate; DTXSID20943369
| 已通报的危害声明 | H413 (100%) |
|---|
3α-[(乙氧基羰基)氧基]-7,12-二氧代-5β-胆烷-24-卵酸甲酯 · CAS 21059-42-7 · C28H42O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.