thearubigin (CAS 12698-96-3) — formula C43H34O22, molecular weight 902.7; category organic chemicals.
| CAS Number | 12698-96-3 |
|---|---|
| Molecular Formula | C43H34O22 |
| Molecular Weight | 902.7 |
| LogP | 2.9 |
| Category | Organic Chemicals |
thearubigin is a carbon-based organic compound with CAS registry number 12698-96-3 and molecular formula C43H34O22 (molecular weight 902.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 12698-96-3
Its molecular formula C43H34O22 comprises 43 C, 34 H, 22 O atoms.
Also known as: thearubigin · 茶红素
Category: organic chemicals
The CAS registry number of thearubigin is 12698-96-3.
Molecular formula C43H34O22, molecular weight 902.7.
It is also registered under: thearubigin, 茶红素.
Category: Organic Chemicals.
Independent reference data for thearubigin (CAS 12698-96-3), compiled from public chemistry databases.
| CAS 号 | 12698-96-3 |
|---|---|
| PubChem CID | 76182283 |
| 分子式 | C43H34O22 |
| IUPAC 名称 | 7-[2-carboxy-1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]ethyl]-5-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid |
| Molecular Weight | 902.7 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 12 |
| Exact Mass | 902.15417271 |
| Monoisotopic Mass | 902.15417271 |
| Topological Polar Surface Area | 385 |
| Heavy Atom Count | 65 |
Thearubigin; DTXSID101365084; 12698-96-3
茶红素 · CAS 12698-96-3 · C43H34O22.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 茶红素