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112849-17-9

Basic Information
CAS No.: 112849-17-9
Name: (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one
Molecular Structure:
Molecular Structure of 112849-17-9 ((2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one)
Formula: C39H66O3Si2
Molecular Weight: 639.11
Synonyms: 2-penten-1-one, 4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-, (2E,4R)-;(1a,3b,5E,7E,22E)-24-Cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-one;2-penten-1-one, 4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-, (2E,4R)-;
EINECS:
Density: 0.98
Melting Point:
Boiling Point: 628.2 °C at 760 mmHg
Flash Point: 277.1 °C
Solubility:
Appearance: White crystal
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 35.53000
LogP: 11.35780
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  • 24-carbonyl-1,3-bi-TBS-trans-Calcipotriol

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    112849-17-9

    24-carbonyl-1,3-bi-TBS-trans-Calcipotriol

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    Zhengzhou Kingorgchem Chemical Technology Co., Ltd. was founded on the basis of Organophosphorus Chemistry Lab of Institute of Chemistry Henan Academy of Sciences in 2015. The laboratory covers 600 m2 and the pilot plant covers 2000 m2. Kingorgchem i

    Zhengzhou Kingorgchem Chemical Technology Co., Ltd. was founded on the basis of Organophosphorus Chemistry Lab of Institute of Chemistry Henan Academy of Sciences in 2015. The

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Specification

The (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one with the cas number 112849-17-9,is also called 2-penten-1-one, 4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-, (2E,4R)- .

The properties of the (2E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-Bis[[(tert-butyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-2-penten-1-one are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 35.53 ?2; (5)Index of Refraction: 1.511; (6)Molar Refractivity: 194.27 cm3; (7)Molar Volume: 647.9 cm3; (8)Polarizability: 77.01×10-24cm3; (9)Surface Tension: 33.4 dyne/cm; (10)Enthalpy of Vaporization: 92.95 kJ/mol; (11)Vapour Pressure: 1.08×10-15 mmHg at 25°C.

This product is a kind of pharmaceutical intermediates and can be supplied by the following suppliers: (1)Xi'an Fude Technology CO., Ltd. ; (2)Hangzhou Sunny Chemical Co., Ltd ; (3)Manus Aktteva, India.; (4)APAC Pharmaceutical, LLC..

You can still convert the following datas into molecular structure :
(1)SMILES: C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
(2)InChI: InChI=1/C39H66O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-34,36H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20+/t27-,32-,33-,34+,36+,39-/m1/s1