6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
Modify Date: 2025-08-25 15:55:45
![6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid Structure](https://image.chemsrc.com/caspic/207/54156-67-1.png)
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid structure
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Common Name | 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 54156-67-1 | Molecular Weight | 590.78800 | |
| Density | 1.122g/cm3 | Boiling Point | 731.3ºC at 760 mmHg | |
| Molecular Formula | C34H54O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 223.2ºC | |
| Name | 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5S)-5-ethyl-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.122g/cm3 |
|---|---|
| Boiling Point | 731.3ºC at 760 mmHg |
| Molecular Formula | C34H54O8 |
| Molecular Weight | 590.78800 |
| Flash Point | 223.2ºC |
| Exact Mass | 590.38200 |
| PSA | 133.52000 |
| LogP | 5.84220 |
| Index of Refraction | 1.53 |
| InChIKey | XZJLJFYPIJKWCY-ANXQGEBNSA-N |
| SMILES | CCC(C(=O)C(C)C(O)C(C)CCc1ccc(C)c(O)c1C(=O)O)C1OC(CC)(C2CCC(CC)(C(C)O)O2)CC1C |
| isolapachol |
| Isolasalocid A |