(7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione

C28H38F3NO7 — CID 135687026

About (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione

(7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione (PubChem CID 135687026) has the molecular formula C28H38F3NO7 and a molecular weight of 557.61 g/mol. Its IUPAC name is (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione.

Molecular Properties

• Compound Name: (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione
• PubChem CID: 135687026
• Molecular Formula: C28H38F3NO7
• Molecular Weight: 557.61 g/mol
• Exact Mass: 557.26
• IUPAC Name: (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione
• SMILES: C/C(=C\c1coc(C)n1)[C@H]1CC2OC2(C(F)(F)F)CC2CC2[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
• InChI: InChI=1S/C28H38F3NO7/c1-13(7-18-12-37-16(4)32-18)20-9-22-27(39-22,28(29,30)31)11-17-8-19(17)14(2)24(35)15(3)25(36)26(5,6)21(33)10-23(34)38-20/h7,12,14-15,17,19-22,24,33,35H,8-11H2,1-6H3/b13-7+/t14-,15+,17?,19?,20+,21-,22?,24+,27?/m0/s1
• InChIKey: OMTRBLUIZNOXFO-KPTYQNNASA-N
• XLogP: 4.41
• TPSA: 122.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.61
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione?

The IUPAC name of (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione (CID 135687026) is (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione.

What is the SMILES notation for (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione?

The canonical SMILES for (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione is C/C(=C\c1coc(C)n1)[C@H]1CC2OC2(C(F)(F)F)CC2CC2[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1.

What is the InChIKey of (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione?

The InChIKey is OMTRBLUIZNOXFO-KPTYQNNASA-N. The full InChI is InChI=1S/C28H38F3NO7/c1-13(7-18-12-37-16(4)32-18)20-9-22-27(39-22,28(29,30)31)11-17-8-19(17)14(2)24(35)15(3)25(36)26(5,6)21(33)10-23(34)38-20/h7,12,14-15,17,19-22,24,33,35H,8-11H2,1-6H3/b13-7+/t14-,15+,17?,19?,20+,21-,22?,24+,27?/m0/s1.

What are the key properties of (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione?

(7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione has a molecular weight of 557.61 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,11S,14R,15R,16S)-11,15-dihydroxy-12,12,14,16-tetramethyl-7-[(E)-1-(2-methyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3-(trifluoromethyl)-4,8-dioxatricyclo[15.1.0.03,5]octadecane-9,13-dione is sourced from PubChem (CID 135687026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).