Previtamin D(3)
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
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RN given refers to (3 beta,6Z)-isomer; structure in first source | RN given refers to (3 beta,6Z)-isomer; structure in first source | ||
==General Properties== | ==General Properties== | ||
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Contents |
[edit] Description
RN given refers to (3 beta,6Z)-isomer; structure in first source
[edit] General Properties
*Molecular Weight
384.64
*Molecular Formula
C27H44O
*IUPAC NAME
(1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
*Canonical Smiles
CC1=C(CC(CC1)O)C=CC2=CCCC3(C2CCC3C(C)CCCC(C)C)C
*Isomeric Smiles
CC1=C(C[C@H](CC1)O)C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
