Chemical Compound

calcipotriene

CAS Registry Number 112965-21-6
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calcipotriene chemical structure
Primary Record

calcipotriene

In stock
8,207 g
Purity
99.7 %
CAS
112965-21-6

Compound Identifiers & Properties

CAS
112965-21-6
PubChem CID
122130352
SMILES
C[C@H](C=C[C@H](C1CC1)O)[C@H]2CC[C@@H]\3C2(CCC/C3=C/C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
Canonical SMILES
C=C1/C(=C\C=C2\CCCC3(C)[C@@H]([C@H](C)C=C[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O

Names & Synonyms

  • calcipotriene
  • (1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(E,2S)-5-Cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • 112965-21-6