tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C56H87NO7Si2 — CID 25180340

IUPACtert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]([C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)[C@H](C)/C=C/C(C)=C/[C@H]1C=C[C@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](OC)C[C@H]2[C@@]1(C)C=O
InChIInChI=1S/C56H87NO7Si2/c1-18-65(19-2,20-3)64-50(41(6)51-42(7)57(55(14,15)61-51)52(59)62-53(8,9)10)40(5)32-31-39(4)35-43-33-34-47-48(56(43,16)38-58)36-44(60-17)37-49(47)63-66(54(11,12)13,45-27-23-21-24-28-45)46-29-25-22-26-30-46/h21-35,38,40-44,47-51H,18-20,36-37H2,1-17H3/b32-31+,39-35+/t40-,41+,42-,43-,44+,47-,48-,49+,50-,51+,56+/m1/s1
InChIKeyXQHLXRSHFJRYMX-NNHZBBHESA-N
MW942.48 g/mol
LogP12.29
Rot. Bonds17

About tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 25180340) has the molecular formula C56H87NO7Si2 and a molecular weight of 942.48 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID25180340
Molecular FormulaC56H87NO7Si2
Molecular Weight942.48 g/mol
Exact Mass941.60
IUPAC Nametert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]([C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)[C@H](C)/C=C/C(C)=C/[C@H]1C=C[C@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](OC)C[C@H]2[C@@]1(C)C=O
InChIInChI=1S/C56H87NO7Si2/c1-18-65(19-2,20-3)64-50(41(6)51-42(7)57(55(14,15)61-51)52(59)62-53(8,9)10)40(5)32-31-39(4)35-43-33-34-47-48(56(43,16)38-58)36-44(60-17)37-49(47)63-66(54(11,12)13,45-27-23-21-24-28-45)46-29-25-22-26-30-46/h21-35,38,40-44,47-51H,18-20,36-37H2,1-17H3/b32-31+,39-35+/t40-,41+,42-,43-,44+,47-,48-,49+,50-,51+,56+/m1/s1
InChIKeyXQHLXRSHFJRYMX-NNHZBBHESA-N
XLogP12.29
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.48
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R,5S)-5-[(1S)-1-[(1R,2E,4E,6R,7R,10E,12Z,14E,17R,19S,21S,22R)-21-[tert-butyl(diphenyl)silyl]oxy-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-7-yl]ethyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 135066740
tert-butyl (4R,5S)-5-[(1S)-1-[(1R,2E,4E,6R,7R,10E,12Z,14E,16R,17R,19S,21S,22R)-21-[tert-butyl(diphenyl)silyl]oxy-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-7-yl]ethyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824418
tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 25179959
tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-1-methyl-1-[(1E,3Z,5E)-3-methyl-7-oxo-7-(2-trimethylsilylethoxy)hepta-1,3,5-trienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 25180154
tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-7-methoxy-1-methyl-1-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 25180339
tert-butyl (4R,5S)-5-[(1R)-1-[(1R,2E,4E,6R,7R,10E,12Z,14E,16R,17R,19S,21S,22R)-21-[tert-butyl(diphenyl)silyl]oxy-19-methoxy-3,6,13,16-tetramethyl-9-oxo-8-oxatricyclo[14.8.0.017,22]tetracosa-2,4,10,12,14,23-hexaen-7-yl]ethyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 102032509

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 25180340) is tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is CC[Si](CC)(CC)O[C@@H]([C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)[C@H](C)/C=C/C(C)=C/[C@H]1C=C[C@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@@H](OC)C[C@H]2[C@@]1(C)C=O.
What is the InChIKey of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is XQHLXRSHFJRYMX-NNHZBBHESA-N. The full InChI is InChI=1S/C56H87NO7Si2/c1-18-65(19-2,20-3)64-50(41(6)51-42(7)57(55(14,15)61-51)52(59)62-53(8,9)10)40(5)32-31-39(4)35-43-33-34-47-48(56(43,16)38-58)36-44(60-17)37-49(47)63-66(54(11,12)13,45-27-23-21-24-28-45)46-29-25-22-26-30-46/h21-35,38,40-44,47-51H,18-20,36-37H2,1-17H3/b32-31+,39-35+/t40-,41+,42-,43-,44+,47-,48-,49+,50-,51+,56+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 942.48 g/mol, XLogP of 12.29, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E)-8-[(1R,2R,4aR,5S,7S,8aR)-5-[tert-butyl(diphenyl)silyl]oxy-1-formyl-7-methoxy-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-4,7-dimethyl-3-triethylsilyloxyocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 25180340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).