(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione

C24H39FO7 — CID 129313018

IUPAC(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione
SMILESC=C[C@@]1(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)C[C@@](C)(F)C(=O)[C@H](C)C1
InChIInChI=1S/C24H39FO7/c1-9-17-23(7,30)21(29)16(5)19(27)14(3)11-24(10-2,31-8)12-15(4)20(28)22(6,25)13-18(26)32-17/h10,14-17,21,29-30H,2,9,11-13H2,1,3-8H3/t14-,15-,16+,17-,21-,22-,23-,24-/m1/s1
InChIKeyLMKDGSOVTVYDLJ-DUYFBXNXSA-N
MW458.57 g/mol
LogP2.95
Rot. Bonds3

About (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione

(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione (PubChem CID 129313018) has the molecular formula C24H39FO7 and a molecular weight of 458.57 g/mol. Its IUPAC name is (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione.

Molecular Properties

Compound Name(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione
PubChem CID129313018
Molecular FormulaC24H39FO7
Molecular Weight458.57 g/mol
Exact Mass458.27
IUPAC Name(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione
SMILESC=C[C@@]1(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)C[C@@](C)(F)C(=O)[C@H](C)C1
InChIInChI=1S/C24H39FO7/c1-9-17-23(7,30)21(29)16(5)19(27)14(3)11-24(10-2,31-8)12-15(4)20(28)22(6,25)13-18(26)32-17/h10,14-17,21,29-30H,2,9,11-13H2,1,3-8H3/t14-,15-,16+,17-,21-,22-,23-,24-/m1/s1
InChIKeyLMKDGSOVTVYDLJ-DUYFBXNXSA-N
XLogP2.95
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione?
The IUPAC name of (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione (CID 129313018) is (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione.
What is the SMILES notation for (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione?
The canonical SMILES for (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione is C=C[C@@]1(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)C[C@@](C)(F)C(=O)[C@H](C)C1.
What is the InChIKey of (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione?
The InChIKey is LMKDGSOVTVYDLJ-DUYFBXNXSA-N. The full InChI is InChI=1S/C24H39FO7/c1-9-17-23(7,30)21(29)16(5)19(27)14(3)11-24(10-2,31-8)12-15(4)20(28)22(6,25)13-18(26)32-17/h10,14-17,21,29-30H,2,9,11-13H2,1,3-8H3/t14-,15-,16+,17-,21-,22-,23-,24-/m1/s1.
What are the key properties of (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione?
(4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione has a molecular weight of 458.57 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,8R,10R,12R,13R,14S,15R)-8-ethenyl-15-ethyl-4-fluoro-13,14-dihydroxy-8-methoxy-4,6,10,12,14-pentamethyl-oxacyclopentadecane-2,5,11-trione is sourced from PubChem (CID 129313018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).