Secaubrytriol
Modify Date: 2025-08-22 11:48:27
Secaubrytriol structure
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Common Name | Secaubrytriol | ||
|---|---|---|---|---|
| CAS Number | 925932-10-1 | Molecular Weight | 490.715 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 637.5±30.0 °C at 760 mmHg | |
| Molecular Formula | C30H50O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 353.4±21.1 °C | |
| Name | 3-[(1R,3aS,3bS,6R,6aR,7aS,9aR)-1-[(2R,5R)-5,6-Dihydroxy-6-methyl- 2-heptanyl]-6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyldecahydro-1 H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 637.5±30.0 °C at 760 mmHg |
| Molecular Formula | C30H50O5 |
| Molecular Weight | 490.715 |
| Flash Point | 353.4±21.1 °C |
| Exact Mass | 490.365814 |
| PSA | 97.99000 |
| LogP | 5.54 |
| Vapour Pressure | 0.0±4.3 mmHg at 25°C |
| Index of Refraction | 1.557 |
| InChIKey | NFSDEMPRAKPPFK-HIGWZERASA-N |
| SMILES | C=C(CO)C1CCC2C3(C)CCC(C(C)CCC(O)C(C)(C)O)C3(C)CCC23CC13CCC(=O)O |
| Hazard Codes | Xi |
|---|
| 3-[(1R,3aS,3bS,6R,6aR,7aS,9aR)-1-[(2R,5R)-5,6-Dihydroxy-6-methyl-2-heptanyl]-6-(3-hydroxy-1-propen-2-yl)-3a,9a-dimethyldecahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoic acid |
| 1H-Cyclopenta[a]cyclopropa[e]naphthalene-6a(7H)-propanoic acid, 1-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]decahydro-6-[1-(hydroxymethyl)ethenyl]-3a,9a-dimethyl-, (1R,3aS,3bS,6R,6aR,7aS,9aR)- |