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

Name: (1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4R)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
Brand: ChemScene
Availability: InStock
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CAS No. 112827-99-3
Cat. No. CS-0655217
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(1S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4R)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol|CS-0655217

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General Information
Synthesis
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 112827-99-3
Cat. No. CS-0655217
Purity ≥98%
MDL No. None
Storage -20°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₄₀O₃
Molecular Weight 412.60
Synonym(s) None
SMILES C[C@@]12[C@](CC[C@@H]2[C@@H](/C=C/[C@H](O)C3CC3)C)([H])/C(CCC1)=C/C=C4C[C@@H](O)C[C@H](O)C/4=C

Synthesis

Route1
- 87680-65-7
- ~%
- In-stock
  
  112827-99-3
References
- Calverley Tetrahedron, 1987 , vol. 43, # 20 p. 4609-4619
Route2
- 112828-12-3
- ~%
- In-stock
  
  112827-99-3
References
- Calverley Tetrahedron, 1987 , vol. 43, # 20 p. 4609-4619

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06,GHS08
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H300-H311-H331-H373
Precautionary Statements : P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 60.69
LogP 5.0906
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Olefins

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Analytical Science Drug Impurity Reference Substance Other Drugs Other impurity

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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

CAS No. 112827-99-3