(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione

C20H22O4 — CID 155534125

IUPAC(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
SMILESCO[C@@]12c3c4cc(=O)cc(C)c3C[C@@H]1[C@H]1CC(C)[C@@]2(CC4)C(=O)O1
InChIInChI=1S/C20H22O4/c1-10-6-13(21)8-12-4-5-19-11(2)7-16(24-18(19)22)15-9-14(10)17(12)20(15,19)23-3/h6,8,11,15-16H,4-5,7,9H2,1-3H3/t11?,15-,16-,19+,20-/m1/s1
InChIKeyPRNZPPREKVOZOE-BVWZTOKYSA-N
MW326.39 g/mol
LogP2.27
Rot. Bonds1

About (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione

(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione (PubChem CID 155534125) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione.

Molecular Properties

Compound Name(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
PubChem CID155534125
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione
SMILESCO[C@@]12c3c4cc(=O)cc(C)c3C[C@@H]1[C@H]1CC(C)[C@@]2(CC4)C(=O)O1
InChIInChI=1S/C20H22O4/c1-10-6-13(21)8-12-4-5-19-11(2)7-16(24-18(19)22)15-9-14(10)17(12)20(15,19)23-3/h6,8,11,15-16H,4-5,7,9H2,1-3H3/t11?,15-,16-,19+,20-/m1/s1
InChIKeyPRNZPPREKVOZOE-BVWZTOKYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione?
The IUPAC name of (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione (CID 155534125) is (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione.
What is the SMILES notation for (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione?
The canonical SMILES for (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione is CO[C@@]12c3c4cc(=O)cc(C)c3C[C@@H]1[C@H]1CC(C)[C@@]2(CC4)C(=O)O1.
What is the InChIKey of (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione?
The InChIKey is PRNZPPREKVOZOE-BVWZTOKYSA-N. The full InChI is InChI=1S/C20H22O4/c1-10-6-13(21)8-12-4-5-19-11(2)7-16(24-18(19)22)15-9-14(10)17(12)20(15,19)23-3/h6,8,11,15-16H,4-5,7,9H2,1-3H3/t11?,15-,16-,19+,20-/m1/s1.
What are the key properties of (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione?
(1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione has a molecular weight of 326.39 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,12R,13R)-11-methoxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-4,7,9-triene-6,15-dione is sourced from PubChem (CID 155534125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).