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CAS RN 112965-21-6

CAS RN 112965-21-6

IUPAC Name: (1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Synonyms: calcipotriol
Molecular Weight (g/mol): 412.61
Molecular Formula: C27H40O3
InChi Key: LWQQLNNNIPYSNX-OUSHRDKSSA-N
SMILES: C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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1

Calcipotriol, Tocris Bioscience™

CAS: 112965-21-6 Molecular Formula: C27H40O3 Molecular Weight (g/mol): 412.61 MDL Number: MFCD10567086,MFCD10567086 InChI Key: LWQQLNNNIPYSNX-OUSHRDKSSA-N Synonym: calcipotriol calcipotriene PubChem CID: 131954607 IUPAC Name: (1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol SMILES: C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

PubChem CID 131954607
CAS 112965-21-6
Molecular Weight (g/mol) 412.61
MDL Number MFCD10567086,MFCD10567086
SMILES C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Synonym calcipotriol calcipotriene
IUPAC Name (1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
InChI Key LWQQLNNNIPYSNX-OUSHRDKSSA-N
Molecular Formula C27H40O3
2

Calcipotriol, MedChemExpress

MedChemExpress Calcipotriol is a synthetic VitD3 analogue with a high affinity for the vitamin D receptor.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 412.6
Color White
Physical Form Powder
Chemical Name or Material Calcipotriol
Grade Research
SMILES C=C1[C@H](C[C@@H](C/C1=C/C=C2[C@]3([C@@](C)([C@H](CC3)[C@@H](/C=C/[C@H](C4CC4)O)C)CCC/2)[H])O)O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.54%
CAS 112965-21-6
Solubility Information DMSO : ≥ 100 mg/mL (242.37 mM) ∣Ethanol : 50 mg/mL (121.18 mM; Need ultrasonic)
Synonym MC 903 Calcipotriene
Purity Grade Notes Research
Recommended Storage -20°C, protect from light, stored under nitrogen∣The compound is unstable in solutions, freshly prepared is recommended.
Shelf Life -20°C, protect from light, stored under nitrogen∣The compound is unstable in solutions, freshly prepared is recommended.
Molecular Formula C27H40O3
Formula Weight 412.6