(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione

C25H31FO8 — CID 91610549

IUPAC(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
SMILESCOCOc1cc(OC)cc2c1C(=O)O[C@@H](C)C(C)=CC(F)C(=O)C1OC(C)(C)OC1CC=C2
InChIInChI=1S/C25H31FO8/c1-14-10-18(26)22(27)23-19(33-25(3,4)34-23)9-7-8-16-11-17(30-6)12-20(31-13-29-5)21(16)24(28)32-15(14)2/h7-8,10-12,15,18-19,23H,9,13H2,1-6H3/t15-,18?,19?,23?/m0/s1
InChIKeyLECRZEFBFBNDSC-KXYARKMISA-N
MW478.51 g/mol
LogP4.01
Rot. Bonds4

About (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione

(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione (PubChem CID 91610549) has the molecular formula C25H31FO8 and a molecular weight of 478.51 g/mol. Its IUPAC name is (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione.

Molecular Properties

Compound Name(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
PubChem CID91610549
Molecular FormulaC25H31FO8
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
SMILESCOCOc1cc(OC)cc2c1C(=O)O[C@@H](C)C(C)=CC(F)C(=O)C1OC(C)(C)OC1CC=C2
InChIInChI=1S/C25H31FO8/c1-14-10-18(26)22(27)23-19(33-25(3,4)34-23)9-7-8-16-11-17(30-6)12-20(31-13-29-5)21(16)24(28)32-15(14)2/h7-8,10-12,15,18-19,23H,9,13H2,1-6H3/t15-,18?,19?,23?/m0/s1
InChIKeyLECRZEFBFBNDSC-KXYARKMISA-N
XLogP4.01
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione with MolForge

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

Launch Full Analysis

Related Compounds

20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 91041500
(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
CID 89025127
(5S)-10-hydroxy-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 91024332
(5S)-20-methoxy-18-(methoxymethoxy)-7,7,13-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 90802616
(2E,5S,9S,11Z,14S)-18-hydroxy-20-methoxy-7,7,14-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione;(2E,5S,9S,11Z,14S)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
CID 158419290
(2E,5S,9R,11Z,13R,14S)-20-(difluoromethoxy)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 59467074
(5S,9R,11Z,13R,14S)-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 173470810
(2E,5S,9S,11Z,13R,14S)-20-(difluoromethoxy)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione;(4S,5R,6Z,12E)-16-(difluoromethoxy)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 159772976
[(5S,13R,14S)-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate
CID 90833514
(2E,11Z,13R)-10-hydroxy-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;methane;(2E,11Z,13R)-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
CID 159794507
(5R,11Z)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraene-10,16-dione
CID 58750064
CID 173478248
CID 173478248

Frequently Asked Questions

What is the IUPAC name of (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?
The IUPAC name of (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione (CID 91610549) is (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione.
What is the SMILES notation for (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?
The canonical SMILES for (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione is COCOc1cc(OC)cc2c1C(=O)O[C@@H](C)C(C)=CC(F)C(=O)C1OC(C)(C)OC1CC=C2.
What is the InChIKey of (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?
The InChIKey is LECRZEFBFBNDSC-KXYARKMISA-N. The full InChI is InChI=1S/C25H31FO8/c1-14-10-18(26)22(27)23-19(33-25(3,4)34-23)9-7-8-16-11-17(30-6)12-20(31-13-29-5)21(16)24(28)32-15(14)2/h7-8,10-12,15,18-19,23H,9,13H2,1-6H3/t15-,18?,19?,23?/m0/s1.
What are the key properties of (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione?
(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione has a molecular weight of 478.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione is sourced from PubChem (CID 91610549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).