(αS)-α-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-buten-1-yl]cyclopropanemethanol

CAS No. 112875-61-3
Cat. No. CS-0655301
Molecule weight641.13
Purity≥98%
MDL No.None

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(αS)-α-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-buten-1-yl]cyclopropanemethanol|CS-0655301

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General Information
Synthesis
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 112875-61-3
Cat. No. CS-0655301
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₉H₆₈O₃Si₂
Molecular Weight 641.13
Synonym(s) None
SMILES C[C@@]12[C@](CC[C@]2([H])[C@H](C)/C=C/[C@H](C3CC3)O)([H])/C(CCC1)=C/C=C4C([C@H](C[C@@H](C\4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=C

Synthesis

Route1
- 112849-27-1
- ~%
- 112875-61-3
References
- Calverley Tetrahedron, 1987 , vol. 43, # 20 p. 4609-4619
Route2
- 590366-68-0
- 1489-69-6
- ~63%
- 112875-61-3
References
- Rumbo, Antonio; Perez-Garcia, Xenxo; Mourino, Antonio Journal of Steroid Biochemistry and Molecular Biology, 2010 , vol. 121, # 1-2 p. 68 - 70
Route3
- 765-43-5
- ~%
- 112875-61-3
References
- Calverley Tetrahedron, 1987 , vol. 43, # 20 p. 4609-4619

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 38.69
LogP 11.1496
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 9

Other Classifications

Building Blocks Functional Group Alcohol

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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(αS)-α-[(1E,3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-buten-1-yl]cyclopropanemethanol

CAS No. 112875-61-3

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