(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol
Modify Date: 2025-09-26 16:31:34
![(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol Structure](https://image.chemsrc.com/caspic/017/116925-40-7.png)
(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol structure
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Common Name | (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol | ||
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| CAS Number | 116925-40-7 | Molecular Weight | 428.69000 | |
| Density | 1.023g/cm3 | Boiling Point | 541.7ºC at 760mmHg | |
| Molecular Formula | C29H48O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 221.2ºC | |
| Name | (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol |
|---|---|
| Synonym | More Synonyms |
| Density | 1.023g/cm3 |
|---|---|
| Boiling Point | 541.7ºC at 760mmHg |
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.69000 |
| Flash Point | 221.2ºC |
| Exact Mass | 428.36500 |
| PSA | 40.46000 |
| LogP | 7.37000 |
| Vapour Pressure | 5.43E-14mmHg at 25°C |
| Index of Refraction | 1.563 |
| InChIKey | PYGGFMISRIMKTA-IBSHMIGKSA-N |
| SMILES | CCC(O)CCCCC1C(CC)CC2C(C)(C=CC3=C(C)C=CC(O)C3)CCCC12C |
| 25-Hydroxy-26,27-dimethylcholecalciferol |
| 25-Hydroxy-26,27-dimethylvitamin D3 |
| 26,27-Dimethylcalcifediol |