ISOBUTYRYLSHIKONIN (CAS 52438-12-7) — formula C20H22O6, molecular weight 358.4; category organic chemicals.
| CAS Number | 52438-12-7 |
|---|---|
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.4 |
| LogP | 4.6 |
| Category | Organic Chemicals |
ISOBUTYRYLSHIKONIN is a carbon-based organic compound with CAS registry number 52438-12-7 and molecular formula C20H22O6 (molecular weight 358.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52438-12-7
Its molecular formula C20H22O6 comprises 20 C, 22 H, 6 O atoms.
Also known as: ISOBUTYRYLSHIKONIN · 异丁酰紫草素
Category: organic chemicals
The CAS registry number of ISOBUTYRYLSHIKONIN is 52438-12-7.
Molecular formula C20H22O6, molecular weight 358.4.
It is also registered under: ISOBUTYRYLSHIKONIN, 异丁酰紫草素.
Category: Organic Chemicals.
Independent reference data for ISOBUTYRYLSHIKONIN (CAS 52438-12-7), compiled from public chemistry databases.
| CAS 号 | 52438-12-7 |
|---|---|
| PubChem CID | 479500 |
| 分子式 | C20H22O6 |
| IUPAC 名称 | [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate |
| Molecular Weight | 358.4 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 358.14163842 |
| Monoisotopic Mass | 358.14163842 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 26 |
Isobutyrylshikonin; Isobutylshikonin; 52438-12-7; RefChem:149129; 932-567-3; [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate; (1r)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 2-methylpropanoate; (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl isobutyrate; orb1297533; SCHEMBL3298557; SCHEMBL29377598; CHEBI:81070; DTXSID901316067; MFCD00144512; TN1137; EBC-617616
| 已通报的危害声明 | H302 (100%), H312 (100%), H332 (100%) |
|---|
异丁酰紫草素 · CAS 52438-12-7 · C20H22O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异丁酰紫草素