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Calcipotriene

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Calcipotriene / CAS : 112828-00-9

Appearance solid UN -
HS 29372900 DG Class -
Synonyms (1R,3S,5Z)-5-[(2E)-2-[1-[(E,2R,5R)-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; Calcipotriol; 24-Cyclopropyl-(1Alpha,3Beta,5Z,7E,22E,24S)-9,10-Secochola-5,7,10(19),22-Tetraene-1,3,24-Triol; (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
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Properties

Summary

Formula
C27H40O3
Molecular Mass
412.60500
Exact Mass
412.29800
PSA
60.69000
Logp
5.09060
IUPAC
(1R,3S,5Z)-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
SMILES
CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Cosmetics > Cosmetic Raw Materials

Chemical and Physical Properties

Density
1.12 g/cm3
Boiling Point
582ºC
Flash Point
250.6ºC
Appearance
solid

Export information

HS Code
29372900
Export Rebate
13%

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