(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione

C19H18O5 — CID 139048442

IUPAC(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
SMILESCc1cc(=O)cc2c3c1[C@@H]1O[C@H]4[C@@H]5OC(=O)[C@](CC2)([C@@H]4C)[C@@]3(O)[C@@H]51
InChIInChI=1S/C19H18O5/c1-7-5-10(20)6-9-3-4-18-8(2)14-16(24-17(18)21)13-15(23-14)11(7)12(9)19(13,18)22/h5-6,8,13-16,22H,3-4H2,1-2H3/t8-,13-,14-,15+,16-,18+,19+/m1/s1
InChIKeyWCQRBBLFIWWQCM-XACASJGOSA-N
MW326.35 g/mol
LogP1.12
Rot. Bonds

About (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione

(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione (PubChem CID 139048442) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione.

Molecular Properties

Compound Name(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
PubChem CID139048442
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
SMILESCc1cc(=O)cc2c3c1[C@@H]1O[C@H]4[C@@H]5OC(=O)[C@](CC2)([C@@H]4C)[C@@]3(O)[C@@H]51
InChIInChI=1S/C19H18O5/c1-7-5-10(20)6-9-3-4-18-8(2)14-16(24-17(18)21)13-15(23-14)11(7)12(9)19(13,18)22/h5-6,8,13-16,22H,3-4H2,1-2H3/t8-,13-,14-,15+,16-,18+,19+/m1/s1
InChIKeyWCQRBBLFIWWQCM-XACASJGOSA-N
XLogP1.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione?
The IUPAC name of (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione (CID 139048442) is (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione.
What is the SMILES notation for (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione?
The canonical SMILES for (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione is Cc1cc(=O)cc2c3c1[C@@H]1O[C@H]4[C@@H]5OC(=O)[C@](CC2)([C@@H]4C)[C@@]3(O)[C@@H]51.
What is the InChIKey of (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione?
The InChIKey is WCQRBBLFIWWQCM-XACASJGOSA-N. The full InChI is InChI=1S/C19H18O5/c1-7-5-10(20)6-9-3-4-18-8(2)14-16(24-17(18)21)13-15(23-14)11(7)12(9)19(13,18)22/h5-6,8,13-16,22H,3-4H2,1-2H3/t8-,13-,14-,15+,16-,18+,19+/m1/s1.
What are the key properties of (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione?
(1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione has a molecular weight of 326.35 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,12R,13R,15R,16R,19S)-11-hydroxy-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione is sourced from PubChem (CID 139048442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).