CAS 112828-00-9|Calcipotriene

Introduction：Basic information about CAS 112828-00-9|Calcipotriene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Synonyms

Common Name	Calcipotriene
CAS Number	112828-00-9	Molecular Weight	412.605
Density	1.1±0.1 g/cm3	Boiling Point	582.0±50.0 °C at 760 mmHg
Molecular Formula	C₂₇H₄₀O₃	Melting Point	/
MSDS	/	Flash Point	250.6±24.7 °C

Names

Name	Calcipotriene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	582.0±50.0 °C at 760 mmHg
Molecular Formula	C₂₇H₄₀O₃
Molecular Weight	412.605
Flash Point	250.6±24.7 °C
Exact Mass	412.297760
PSA	60.69000
LogP	5.43
Vapour Pressure	0.0±3.7 mmHg at 25°C
Index of Refraction	1.580
InChIKey	LWQQLNNNIPYSNX-VVAPROMRSA-N
SMILES	C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)C=CC(O)C2CC2)CC(O)CC1O

Synonyms

(1S,3R,5Z,7E,14ξ,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol

(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

MFCD00866630

1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-

(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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