(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione

C19H26O6 — CID 16758265

IUPAC(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione
SMILESC[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1
InChIInChI=1S/C19H26O6/c1-13-5-3-7-19(22)24-12-17-15(20)9-10-16(25-17)14(2)6-4-8-18(21)23-11-13/h3-6,9-10,13-17,20H,7-8,11-12H2,1-2H3/b5-3-,6-4-/t13-,14-,15+,16+,17-/m1/s1
InChIKeyXGCIFHVYKNFEON-LQQYVMJKSA-N
MW350.41 g/mol
LogP1.94
Rot. Bonds

About (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione

(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione (PubChem CID 16758265) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione.

Molecular Properties

Compound Name(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione
PubChem CID16758265
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione
SMILESC[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1
InChIInChI=1S/C19H26O6/c1-13-5-3-7-19(22)24-12-17-15(20)9-10-16(25-17)14(2)6-4-8-18(21)23-11-13/h3-6,9-10,13-17,20H,7-8,11-12H2,1-2H3/b5-3-,6-4-/t13-,14-,15+,16+,17-/m1/s1
InChIKeyXGCIFHVYKNFEON-LQQYVMJKSA-N
XLogP1.94
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione with MolForge

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Related Compounds

(1R,6E,8R,14E,16R,17S,20S)-20-hydroxy-9-methoxy-8,16-dimethyl-3,11,21-trioxabicyclo[15.3.1]henicosa-6,14,18-triene-4,12-dione
CID 126480050
(1R,8R,9S,14Z,16R,17S,20S)-20-hydroxy-9-methoxy-8,16-dimethyl-3,11,21-trioxabicyclo[15.3.1]henicosa-14,18-diene-4,12-dione
CID 16758331
N-[(1R,6E,8R,9S,14E,16R,17S,20S)-20-hydroxy-8,16-dimethyl-4,12-dioxo-3,11,21-trioxabicyclo[15.3.1]henicosa-6,14,18-trien-9-yl]-4-methylbenzenesulfonamide
CID 6419596
14-methyl-1-oxacyclopentadec-12-en-2-one
CID 174998559
(3S,9S,10R,17R)-10-methoxy-9,17-dimethyl-3-(2-methylsulfanylethyl)-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione
CID 6636483
(3S,7E,9R,13S,17E,19R)-9,19-dimethyl-3,13-bis(2-methylsulfanylethyl)-1,11-dioxa-4,14-diazacycloicosa-7,17-diene-2,5,12,15-tetrone
CID 6419651
(1S,3R,7R,8E,10R)-7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
CID 24773313
(1S,5R,7S,8S)-7-hydroxy-5-methyl-4,11-dioxabicyclo[6.2.1]undec-9-en-3-one
CID 131107062
(3S,7Z,9R,10S,15Z,17R,18S)-10,18-dimethoxy-9,17-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclononadeca-7,15-diene-2,5,13-trione
CID 16758254
(3S,9R,10S,17R,18S)-10,18-dimethoxy-9,17-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclononadeca-7,15-diene-2,5,13-trione
CID 6636501
(4R,6R,7S,8E)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
CID 10353178
(3S,8E,10R,11S,15S)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 6419683

Frequently Asked Questions

What is the IUPAC name of (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione?
The IUPAC name of (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione (CID 16758265) is (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione.
What is the SMILES notation for (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione?
The canonical SMILES for (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione is C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1.
What is the InChIKey of (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione?
The InChIKey is XGCIFHVYKNFEON-LQQYVMJKSA-N. The full InChI is InChI=1S/C19H26O6/c1-13-5-3-7-19(22)24-12-17-15(20)9-10-16(25-17)14(2)6-4-8-18(21)23-11-13/h3-6,9-10,13-17,20H,7-8,11-12H2,1-2H3/b5-3-,6-4-/t13-,14-,15+,16+,17-/m1/s1.
What are the key properties of (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione?
(1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione has a molecular weight of 350.41 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6Z,8R,13Z,15R,16S,19S)-19-hydroxy-8,15-dimethyl-3,10,20-trioxabicyclo[14.3.1]icosa-6,13,17-triene-4,11-dione is sourced from PubChem (CID 16758265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).