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Chemical structure of Calcipotriol monohydrate

GC35584

Calcipotriol monohydrate

Also known as trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate

Calcipotriol monohydrate (catalogue number GC35584) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 147657-22-5. Molecular formula C27H42O4, molecular weight 430.62. IUPAC name: trans-(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate. Supplied in 4 pack sizes, from 5mg at ₪240.66 to 100mg at ₪1,982.35; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS147657-22-5MW430.62FormulaC27H42O4
CAS number
147657-22-5
Molecular weight
430.62
Formula
C27H42O4
Solubility
DMSO： 100 mg/mL (232·22 mM)
InChIKey
XBKHACNRWFKJNC-XOLMQUHCSA-N
Catalogue number
GC35584
Brand
GLPBIO
Computed properties PubChem CID 25010642 · TPSA 61.7 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
61.7 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

SMILES C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C.O

Computed descriptors from PubChem (CID 25010642), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.