(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione

C23H37FO7 — CID 143418334

IUPAC(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
SMILESC=C[C@]1(OC)CC(C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C1
InChIInChI=1S/C23H37FO7/c1-9-16-22(7,29)19(27)15(5)17(25)13(3)11-23(10-2,30-8)12-14(4)18(26)21(6,24)20(28)31-16/h10,13-16,19,27,29H,2,9,11-12H2,1,3-8H3/t13-,14?,15+,16-,19-,21+,22-,23-/m1/s1
InChIKeyVOZPLFRXPXLGDJ-PEESWTHVSA-N
MW444.54 g/mol
LogP2.56
Rot. Bonds3

About (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione

(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione (PubChem CID 143418334) has the molecular formula C23H37FO7 and a molecular weight of 444.54 g/mol. Its IUPAC name is (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione.

Molecular Properties

Compound Name(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
PubChem CID143418334
Molecular FormulaC23H37FO7
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione
SMILESC=C[C@]1(OC)CC(C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C1
InChIInChI=1S/C23H37FO7/c1-9-16-22(7,29)19(27)15(5)17(25)13(3)11-23(10-2,30-8)12-14(4)18(26)21(6,24)20(28)31-16/h10,13-16,19,27,29H,2,9,11-12H2,1,3-8H3/t13-,14?,15+,16-,19-,21+,22-,23-/m1/s1
InChIKeyVOZPLFRXPXLGDJ-PEESWTHVSA-N
XLogP2.56
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione 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 (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The IUPAC name of (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione (CID 143418334) is (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione.
What is the SMILES notation for (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The canonical SMILES for (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione is C=C[C@]1(OC)CC(C)C(=O)[C@](C)(F)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C1.
What is the InChIKey of (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
The InChIKey is VOZPLFRXPXLGDJ-PEESWTHVSA-N. The full InChI is InChI=1S/C23H37FO7/c1-9-16-22(7,29)19(27)15(5)17(25)13(3)11-23(10-2,30-8)12-14(4)18(26)21(6,24)20(28)31-16/h10,13-16,19,27,29H,2,9,11-12H2,1,3-8H3/t13-,14?,15+,16-,19-,21+,22-,23-/m1/s1.
What are the key properties of (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione?
(3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione has a molecular weight of 444.54 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R,9R,11R,12R,13S,14R)-7-ethenyl-14-ethyl-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,4,10-trione is sourced from PubChem (CID 143418334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).