25-Ethyl-(1alpha,3beta,5z,7e,22e)-27-nor-9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25-triol

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Catalog Number
ACM103732087
Product Name
25-Ethyl-(1alpha,3beta,5z,7e,22e)-27-nor-9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25-triol
Structure
Structure
CAS
103732-08-7
Category
Heterocyclic Organic Compound
Synonyms
Dhmh-calcitriol, Dhdh-vitamin D3, DDMVD, CID6438976, 1,25(OH)2-22-Dehydro-monohomo-vitamin D3, 1,25-Dihydroxy-22-dehydro-26-homovitamin D3, 22-Dehydro-1,25-dihydroxy-24-homovitamin D3, 103732-08-7, 27-Nor-9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25-triol, 25-ethyl-, (1alpha,3beta,5Z,7E,22E)-
IUPAC Name
(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methyloct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Weight
428.647160 [g/mol]
Molecular Formula
C28H44O3
Canonical SMILES
CCC(C)(CC=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
InChI Key
RQYBOLUOBVMUJB-KHBWZAROSA-N
Boiling Point
581.8ºC at 760mmHg
Flash Point
244.6ºC
Density
1.06g/cm³
Exact Mass
428.32900
H-Bond Acceptor
3
H-Bond Donor
3
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