(1S,3S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H- pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen- 1-yl 2,2-dimethylbutanoate

Name: (1S,3S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H- pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen- 1-yl 2,2-dimethylbutanoate
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CAS No. 132487-01-5
Cat. No. CS-0914505
Purity≥98%
MDL No.None

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(1S,3S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H- pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen- 1-yl 2,2-dimethylbutanoate|CS-0914505

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Computational Chemistry Data

General Information

CAS No. 132487-01-5
Cat. No. CS-0914505
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₅H₄₀O₅
Molecular Weight 420.58
Synonym(s) None
SMILES O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(=CC[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3)C[C@H](C)C1)[H]

Safety Information

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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 72.83
LogP 4.8096
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Ester

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 Aromatic heterocycle compounds Pyran compounds

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(1S,3S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H- pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen- 1-yl 2,2-dimethylbutanoate

CAS No. 132487-01-5