3-Heptanone,2,4-dihydroxy-2-methyl-6-[(1r,3as,4e,7ar)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(6R)-

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CAS
84164-55-6
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Purity
96%
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Catalog Number

ACM84164556

Product Name

3-Heptanone,2,4-dihydroxy-2-methyl-6-[(1r,3as,4e,7ar)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-,(6R)-

Structure

CAS

84164-55-6

Category

Heterocyclic Organic Compound

Synonyms

23,25-DO-Vitamin D3, LMST03020187, 23,25-Dihydroxy-24-oxovitamin D3, 23,25-Dihydroxy-24-oxo-vitamin D3, CID6439689, 23,25-Dihydroxy-24-oxocholecalciferol, 23,25-Dihydroxy-24-keto-cholecalciferol, 9,10-Secochlesta-5,7,10(19)-trien-24-one, 3,23,25-trihydroxy-, (3beta,5Z,7E)-, 84164-55-6

IUPAC Name

(6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one

Molecular Weight

430.619980 [g/mol]

Molecular Formula

C27H42O4

Canonical SMILES

CC(CC(C(=O)C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChI Key

LYVJVKJTSXESPC-SLOLHKEZSA-N

Exact Mass

430.30800

H-Bond Acceptor

H-Bond Donor