Tomatidine (CAS 77-59-8) — formula C27H45NO2, molecular weight 415.7; category organic chemicals.
| CAS Number | 77-59-8 |
|---|---|
| Molecular Formula | C27H45NO2 |
| Molecular Weight | 415.7 |
| LogP | 6.2 |
| Category | Organic Chemicals |
Tomatidine is a carbon-based organic compound with CAS registry number 77-59-8 and molecular formula C27H45NO2 (molecular weight 415.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 77-59-8
Its molecular formula C27H45NO2 comprises 27 C, 45 H, 1 N, 2 O atoms.
Also known as: Tomatidine · 番茄碱
Category: organic chemicals
The CAS registry number of Tomatidine is 77-59-8.
Molecular formula C27H45NO2, molecular weight 415.7.
It is also registered under: Tomatidine, 番茄碱.
Category: Organic Chemicals.
Independent reference data for Tomatidine (CAS 77-59-8), compiled from public chemistry databases.
| CAS Registry Number | 77-59-8 |
|---|---|
| PubChem CID | 65576 |
| Molecular formula | C27H45NO2 |
| IUPAC name | (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol |
| UNII (FDA) | 2B73S48786 |
| Molecular Weight | 415.7 |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 415.345029678 |
| Monoisotopic Mass | 415.345029678 |
| Topological Polar Surface Area | 41.5 |
| Heavy Atom Count | 30 |
Tomatidine; 77-59-8; Tomatidin; (3beta,5alpha,22beta,25S)-Spirosolan-3-ol; DTXSID0037102; CHEBI:9629; 2B73S48786; Spirosolan-3-ol, (3beta,5alpha,22beta,25S)-; NSC-27592; NSC-226903; RefChem:190356; (3 beta,5 alpha,22 beta, 25S)-spirosolan-3-ol; DTXCID8017102; 201-040-3; (22S,25S)-spirosolan-3beta-ol; MFCD00075644
| Reported hazard statements | H301 (50%), H302 (50%), H331 (50%) |
|---|
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Tomatidine · CAS 77-59-8 · C27H45NO2. UNII 2B73S48786.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 番茄碱