HELENALIN (CAS 6754-13-8) — formula C15H18O4, molecular weight 262.30; category organic chemicals.
| CAS Number | 6754-13-8 |
|---|---|
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 |
| Melting Point | 167-168 °C |
| LogP | 0.87 |
| Applications | Uses: Extremely toxic sesquiterpene lactone found in Helenium microcephalum (smallhead sneezeweed), [HSDB], Methods of Manufacturing: PSEUDOGUAIANOLIDE SESQUITERPENOID LACTONE FROM HELENIUM AUTUMNALE L, H AMARUM (RAF) H ROCH, H MICROCEPHALUM DC, COMPOSITAE. ISOLATION: CLARK, J AM CHEM SOC 58, 1982 (1936), ADAMS, HORZ, J AM CHEM SOC 71, 2546 (1949). |
| Category | Organic Chemicals |
Documented applications: Uses: Extremely toxic sesquiterpene lactone found in Helenium microcephalum (smallhead sneezeweed), [HSDB], Methods of Manufacturing: PSEUDOGUAIANOLIDE SESQUITERPENOID LACTONE FROM HELENIUM AUTUMNALE L, H AMARUM (RAF) H ROCH, H MICROCEPHALUM DC, COMPOSITAE. ISOLATION: CLARK, J AM CHEM SOC 58, 1982 (1936), ADAMS, HORZ, J AM CHEM SOC 71, 2546 (1949)..
HELENALIN is a carbon-based organic compound with CAS registry number 6754-13-8 and molecular formula C15H18O4 (molecular weight 262.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6754-13-8
Its molecular formula C15H18O4 comprises 15 C, 18 H, 4 O atoms.
Also known as: HELENALIN · 堆心菊内酯
Category: organic chemicals
The CAS registry number of HELENALIN is 6754-13-8.
Molecular formula C15H18O4, molecular weight 262.30.
It is also registered under: HELENALIN, 堆心菊内酯.
Recorded applications: Uses: Extremely toxic sesquiterpene lactone found in Helenium microcephalum (smallhead sneezeweed), [HSDB], Methods of Manufacturing: PSEUDOGUAIANOLIDE SESQUITERPENOID LACTONE FROM HELENIUM AUTUMNALE L, H AMARUM (RAF) H ROCH, H MICROCEPHALUM DC, COMPOSITAE. ISOLATION: CLARK, J AM CHEM SOC 58, 1982 (1936), ADAMS, HORZ, J AM CHEM SOC 71, 2546 (1949)..
Category: Organic Chemicals.
Independent reference data for HELENALIN (CAS 6754-13-8), compiled from public chemistry databases.
| CAS 号 | 6754-13-8 |
|---|---|
| PubChem CID | 23205 |
| 分子式 | C15H18O4 |
| IUPAC 名称 | (3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione |
| UNII（FDA） | 4GUY9L896T |
| Molecular Weight | 262.30 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 262.12050905 |
| Monoisotopic Mass | 262.12050905 |
| Topological Polar Surface Area | 63.6 |
| Heavy Atom Count | 19 |
| Melting Point | 167-168 °C |
|---|---|
| LogP | 0.87 |
HELENALIN; 6754-13-8; Helenalin A; PF 56; 4GUY9L896T; NSC-85236; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone; CHEBI:5635; DTXSID50217868; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone; RefChem:145455; DTXCID00140359; HSDB 3490; NSC85236; NSC 85236; MLS000728512
| 已通报的危害声明 | H301 (100%) |
|---|
堆心菊内酯 · CAS 6754-13-8 · C15H18O4. UNII 4GUY9L896T. Melting Point: 167-168 °C; LogP: 0.87.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 堆心菊内酯