(2E,4R)-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-2-penten-1-one

Name: (2E,4R)-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-2-penten-1-one
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CAS No. 112849-17-9
Cat. No. CS-0654129
Molecule weight639.11
Purity≥98%
MDL No.MFCD09833393

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(2E,4R)-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-2-penten-1-one|CS-0654129

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General Information
Synthesis
Safety Information
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Computational Chemistry Data

General Information

CAS No. 112849-17-9
Cat. No. CS-0654129
Purity ≥98%
MDL No. MFCD09833393
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₉H₆₆O₃Si₂
Molecular Weight 639.11
Synonym(s) None
SMILES C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C2[C@@](CC[C@@H]3[C@H](C)/C=C/C(C4CC4)=O)([H])[C@]3(C)CCC\2

Synthesis

Route1
- 67257-33-4
- 112828-13-4
- ~%
- 112849-17-9
References
- WO2005/95336 A2, ; Page/Page column 38-39 ;
Route2
- 765-43-5
- ~%
- 112849-17-9
References
- Tetrahedron, , vol. 43, # 20 p. 4609-4619
Route3
- 18162-48-6
- ~%
- 112849-17-9
References
- Tetrahedron, , vol. 43, # 20 p. 4609-4619

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 35.53
LogP 11.3578
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 9

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Olefins

Building Blocks Functional Group Organosilicon compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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(2E,4R)-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-2-penten-1-one

CAS No. 112849-17-9

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