Products 66791-71-7

CAS 66791-71-7 appears in our catalog under these names: Calcitriol EP Impurity B (epi-Calcitriol), Calcitriol Impurity 2（Calcitriol EP Impurity B）, 1-epi-Calcitriol, Impurity B of Calcitriol, Impurity B of Calcitriol, 98.04%. Offered by: Chemat Brand, Hubei YoungXin, TRC, GLPBio, MedChemExpress. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 10 mg.

Calcitriol EP Impurity B (epi-Calcitriol)
Chemat Brand
  • size: on request
  • Variants: 1
View product
Calcitriol Impurity 2（Calcitriol EP Impurity B）
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
View product
1-epi-Calcitriol
TRC
  • size: 10mg
  • Variants: 1
View product
Impurity B of Calcitriol
GLPBio
  • size: 1mg
  • Variants: 1
from 3784.46
View product
Impurity B of Calcitriol, 98.04%
MedChemExpress
  • size: 10 mg, 5 mg, 1 mg
  • Variants: 3
from 4726.85
View product
Impurity B of Calcitriol (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Impurity B of Calcitriol, 98%
Fluorochem
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 5272.12
View product
Structural formula: {0} (CAS {1})

Cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 66791-71-7) is a chemical compound with the molecular formula C27H44O3 and a molecular weight of 416.6 g/mol. IUPAC name: cis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: GMRQFYUYWCNGIN-PEJFXWBPSA-N.

Identity
Molecular formulaC27H44O3
Molecular weight416.6 g/mol
IUPAC namecis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKeyGMRQFYUYWCNGIN-PEJFXWBPSA-N
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C

Computed by PubChem (NCBI)

Synonyms: 1beta-Calcitriol, 1-Epicalcitriol, 1beta,25-Dihydroxycholecalciferol, 1beta,25-Dihydroxyvitamin-D3, 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1beta,3beta,5Z,7E)-, Impurity B of Calcitriol, 1-epi-Calcitriol, Calcitriol EP Impurity B, Epi-Calcitriol, (5Z,7E)-(1R,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Related forms of this compound
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
cis-(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol C27H44O3
Isomers (same molecular formula)
(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol C27H44O3
(3R,6R)-6-[(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]-2-methylheptane-2,3-diol C27H44O3
(1S,3R,9R,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol C27H44O3
(4R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,4-diol C27H44O3
(1R,3S)-5-[(E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol C27H44O3