(1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione

C82H132O13Si4 — CID 134905194

About (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione

(1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione (PubChem CID 134905194) has the molecular formula C82H132O13Si4 and a molecular weight of 1438.29 g/mol. Its IUPAC name is (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione.

Molecular Properties

• Compound Name: (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione
• PubChem CID: 134905194
• Molecular Formula: C82H132O13Si4
• Molecular Weight: 1438.29 g/mol
• Exact Mass: 1436.87
• IUPAC Name: (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione
• SMILES: CO[C@]12C[C@@H]3C[C@@H](OC(C)(C)O3)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]3C[C@H](CC(=O)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)C[C@H](O1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2)OC(C)(C)O3
• InChI: InChI=1S/C82H132O13Si4/c1-60-45-39-35-33-31-29-27-28-30-32-34-36-40-46-63(83)53-71-69(59-86-99(79(13,14)15,67-47-41-37-42-48-67)68-49-43-38-44-50-68)73(94-97(23,24)77(7,8)9)58-82(85-20,92-71)57-66-55-72(91-81(18,19)90-66)70(93-96(21,22)76(4,5)6)52-51-64-54-65(89-80(16,17)88-64)56-74(84)87-62(3)61(2)75(60)95-98(25,26)78(10,11)12/h27-50,60-62,64-66,69-73,75H,51-59H2,1-26H3/b28-27+,31-29+,32-30+,35-33+,36-34+,45-39+,46-40+/t60-,61-,62-,64+,65+,66-,69-,70+,71-,72+,73-,75+,82+/m0/s1
• InChIKey: DYZHSAISSDWQFQ-ASJUTXQLSA-N
• XLogP: 18.93
• TPSA: 135.67 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.29
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione?

The IUPAC name of (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione (CID 134905194) is (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione.

What is the SMILES notation for (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione?

The canonical SMILES for (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione is CO[C@]12C[C@@H]3C[C@@H](OC(C)(C)O3)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]3C[C@H](CC(=O)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)C[C@H](O1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C2)OC(C)(C)O3.

What is the InChIKey of (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione?

The InChIKey is DYZHSAISSDWQFQ-ASJUTXQLSA-N. The full InChI is InChI=1S/C82H132O13Si4/c1-60-45-39-35-33-31-29-27-28-30-32-34-36-40-46-63(83)53-71-69(59-86-99(79(13,14)15,67-47-41-37-42-48-67)68-49-43-38-44-50-68)73(94-97(23,24)77(7,8)9)58-82(85-20,92-71)57-66-55-72(91-81(18,19)90-66)70(93-96(21,22)76(4,5)6)52-51-64-54-65(89-80(16,17)88-64)56-74(84)87-62(3)61(2)75(60)95-98(25,26)78(10,11)12/h27-50,60-62,64-66,69-73,75H,51-59H2,1-26H3/b28-27+,31-29+,32-30+,35-33+,36-34+,45-39+,46-40+/t60-,61-,62-,64+,65+,66-,69-,70+,71-,72+,73-,75+,82+/m0/s1.

What are the key properties of (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione?

(1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione has a molecular weight of 1438.29 g/mol, XLogP of 18.93, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-40-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-17,37-dione is sourced from PubChem (CID 134905194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).