BREVETOXIN PBTX-3 (CAS 85079-48-7) — formula C50H72O14, molecular weight 897.1; category organic chemicals.
| CAS Number | 85079-48-7 |
|---|---|
| Molecular Formula | C50H72O14 |
| Molecular Weight | 897.1 |
| LogP | 3.8 |
| Category | Organic Chemicals |
BREVETOXIN PBTX-3 is a carbon-based organic compound with CAS registry number 85079-48-7 and molecular formula C50H72O14 (molecular weight 897.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85079-48-7
Its molecular formula C50H72O14 comprises 50 C, 72 H, 14 O atoms.
Also known as: BREVETOXIN PBTX-3 · 化合物 Brevetoxin-3
Category: organic chemicals
The CAS registry number of BREVETOXIN PBTX-3 is 85079-48-7.
Molecular formula C50H72O14, molecular weight 897.1.
It is also registered under: BREVETOXIN PBTX-3, 化合物 Brevetoxin-3.
Category: Organic Chemicals.
Independent reference data for BREVETOXIN PBTX-3 (CAS 85079-48-7), compiled from public chemistry databases.
| CAS 号 | 85079-48-7 |
|---|---|
| PubChem CID | 5353448 |
| 分子式 | C50H72O14 |
| IUPAC 名称 | (21Z)-12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one |
| Molecular Weight | 897.1 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 3 |
| Exact Mass | 896.49220697 |
| Monoisotopic Mass | 896.49220697 |
| Topological Polar Surface Area | 159 |
| Heavy Atom Count | 64 |
Brevetoxin T17; brevetoxin T-17; T17 toxin; DTXSID001019886; RefChem:570226; DTXCID701477752; Brevetoxin 3; brevetoxin pbtx-3; brevetoxin GB-3; Brevetoxin-3; PbTx-3; Dihydrobrevetoxin B; Brevetoxin T 17; Brevetoxin PbTx 3; GB 3 toxin; T-17 toxin
化合物 Brevetoxin-3 · CAS 85079-48-7 · C50H72O14.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 化合物 Brevetoxin-3