(1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

C41H66O8Si — CID 42620653

About (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

(1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one (PubChem CID 42620653) has the molecular formula C41H66O8Si and a molecular weight of 715.06 g/mol. Its IUPAC name is (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one.

Molecular Properties

• Compound Name: (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
• PubChem CID: 42620653
• Molecular Formula: C41H66O8Si
• Molecular Weight: 715.06 g/mol
• Exact Mass: 714.45
• IUPAC Name: (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
• SMILES: C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]3O[C@H]3[C@@H](OCOC)C1)O2
• InChI: InChI=1S/C41H66O8Si/c1-27(2)50(28(3)4,29(5)6)49-36(18-17-34-22-30(7)19-20-44-34)37-25-39-41(48-39)38(45-26-43-10)24-32(9)21-31(8)23-35-15-11-13-33(46-35)14-12-16-40(42)47-37/h11-13,16-19,27-29,31,33-39,41H,9,14-15,20-26H2,1-8,10H3/b16-12-,18-17+/t31-,33-,34+,35-,36-,37-,38-,39+,41-/m0/s1
• InChIKey: RBJFIZOSXXOASB-XEEQSUGMSA-N
• XLogP: 8.93
• TPSA: 84.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.06
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one?

The IUPAC name of (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one (CID 42620653) is (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one.

What is the SMILES notation for (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one?

The canonical SMILES for (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one is C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C(C)C)(C(C)C)C(C)C)C[C@H]3O[C@H]3[C@@H](OCOC)C1)O2.

What is the InChIKey of (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one?

The InChIKey is RBJFIZOSXXOASB-XEEQSUGMSA-N. The full InChI is InChI=1S/C41H66O8Si/c1-27(2)50(28(3)4,29(5)6)49-36(18-17-34-22-30(7)19-20-44-34)37-25-39-41(48-39)38(45-26-43-10)24-32(9)21-31(8)23-35-15-11-13-33(46-35)14-12-16-40(42)47-37/h11-13,16-19,27-29,31,33-39,41H,9,14-15,20-26H2,1-8,10H3/b16-12-,18-17+/t31-,33-,34+,35-,36-,37-,38-,39+,41-/m0/s1.

What are the key properties of (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one?

(1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one has a molecular weight of 715.06 g/mol, XLogP of 8.93, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,7S,8R,10R,12S,15E,18R)-7-(methoxymethoxy)-3-methyl-12-[(E,1S)-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-1-tri(propan-2-yl)silyloxyprop-2-enyl]-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one is sourced from PubChem (CID 42620653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).