2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol

Modify Date: 2025-10-14 18:16:28

2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol Structure
2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol structure
Common Name 2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
CAS Number 123992-86-9 Molecular Weight 444.64700
Density 1.11g/cm3 Boiling Point 621.2ºC at 760 mmHg
Molecular Formula C28H44O4 Melting Point N/A
MSDS N/A Flash Point 262.8ºC

 Names

Name 2-[(E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 621.2ºC at 760 mmHg
Molecular Formula C28H44O4
Molecular Weight 444.64700
Flash Point 262.8ºC
Exact Mass 444.32400
PSA 80.92000
LogP 4.84320
Vapour Pressure 4.97E-18mmHg at 25°C
Index of Refraction 1.568
InChIKey PQSMSWCTTXTLTE-AYTIQPORSA-N
SMILES C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)C=CC(O)(CO)C(C)(C)O

 Synonyms

24,25,28-Trihydroxyvitamin D2
24,25,28-(OH)3-Vitamin D2
9,10-Secoergosta-5,7,10(19),22-tetraene-3,24,25,28-tetrol,(3beta,5Z,7E,22E,24xi)
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