Calcipotriene (CAS 112828-00-9) — formula C27H40O3, molecular weight 412.6; category organic chemicals.
| CAS Number | 112828-00-9 |
|---|---|
| Molecular Formula | C27H40O3 |
| Molecular Weight | 412.6 |
| LogP | 4.3 |
| Category | Organic Chemicals |
Calcipotriene is a carbon-based organic compound with CAS registry number 112828-00-9 and molecular formula C27H40O3 (molecular weight 412.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112828-00-9
Its molecular formula C27H40O3 comprises 27 C, 40 H, 3 O atoms.
Also known as: Calcipotriene · 卡泊三烯
Category: organic chemicals
The CAS registry number of Calcipotriene is 112828-00-9.
Molecular formula C27H40O3, molecular weight 412.6.
It is also registered under: Calcipotriene, 卡泊三烯.
Category: Organic Chemicals.
Independent reference data for Calcipotriene (CAS 112828-00-9), compiled from public chemistry databases.
| CAS Registry Number | 112828-00-9 |
|---|---|
| PubChem CID | 2522 |
| Molecular formula | C27H40O3 |
| IUPAC name | 5-[2-[1-(5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| Molecular Weight | 412.6 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.29774513 |
| Monoisotopic Mass | 412.29774513 |
| Topological Polar Surface Area | 60.7 |
| Heavy Atom Count | 30 |
112828-00-9; MC903 (Calcipotriene); s3739; Q27215852
| Reported hazard statements | H301 (100%), H311 (100%), H331 (100%) |
|---|
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Calcipotriene · CAS 112828-00-9 · C27H40O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 卡泊三烯