(2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol
C137H149F7O7 — CID 158021896
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol
SMILESCC[C@@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H]1C[C@H]2c3ccccc3Cc3ccc(F)cc3[C@@H]2O1
InChIInChI=1S/4C20H23FO.3C19H19FO/c4*1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20;3*1-2-15-11-18-16-6-4-3-5-12(16)9-13-7-8-14(20)10-17(13)19(18)21-15/h4*4-9,11,13,17,20,22H,3,10,12H2,1-2H3;3*3-8,10,15,18-19H,2,9,11H2,1H3/t2*13-,17+,20-;2*13-,17-,20-;15-,18+,19+;2*15-,18-,19-/m1010010/s1
InChIKeyFGDSIEBKYIWHRJ-YDKZUQPQSA-N
MW2040.68 g/mol
LogP33.37
Rot. Bonds15
About (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol
(2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol (PubChem CID 158021896) has the molecular formula C137H149F7O7 and a molecular weight of 2040.68 g/mol. Its IUPAC name is (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol.
Molecular Properties
| Compound Name | (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol |
|---|---|
| PubChem CID | 158021896 |
| Molecular Formula | C137H149F7O7 |
| Molecular Weight | 2040.68 g/mol |
| Exact Mass | 2039.12 |
| IUPAC Name | (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol |
| SMILES | CC[C@@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H]1C[C@H]2c3ccccc3Cc3ccc(F)cc3[C@@H]2O1 |
| InChI | InChI=1S/4C20H23FO.3C19H19FO/c4*1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20;3*1-2-15-11-18-16-6-4-3-5-12(16)9-13-7-8-14(20)10-17(13)19(18)21-15/h4*4-9,11,13,17,20,22H,3,10,12H2,1-2H3;3*3-8,10,15,18-19H,2,9,11H2,1H3/t2*13-,17+,20-;2*13-,17-,20-;15-,18+,19+;2*15-,18-,19-/m1010010/s1 |
| InChIKey | FGDSIEBKYIWHRJ-YDKZUQPQSA-N |
| XLogP | 33.37 |
| TPSA | 108.61 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 151 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2040.68 |
| LogP ≤ 5 | 33.37 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
Frequently Asked Questions
What is the IUPAC name of (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol?
The IUPAC name of (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol (CID 158021896) is (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol.
What is the SMILES notation for (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol?
The canonical SMILES for (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol is CC[C@@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H](O)C[C@@H]1c2ccccc2Cc2ccc(F)cc2[C@@H]1C.CC[C@H](O)C[C@H]1c2ccccc2Cc2ccc(F)cc2[C@H]1C.CC[C@H]1C[C@@H]2c3ccccc3Cc3ccc(F)cc3[C@H]2O1.CC[C@H]1C[C@H]2c3ccccc3Cc3ccc(F)cc3[C@@H]2O1.
What is the InChIKey of (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol?
The InChIKey is FGDSIEBKYIWHRJ-YDKZUQPQSA-N. The full InChI is InChI=1S/4C20H23FO.3C19H19FO/c4*1-3-17(22)12-20-13(2)19-11-16(21)9-8-15(19)10-14-6-4-5-7-18(14)20;3*1-2-15-11-18-16-6-4-3-5-12(16)9-13-7-8-14(20)10-17(13)19(18)21-15/h4*4-9,11,13,17,20,22H,3,10,12H2,1-2H3;3*3-8,10,15,18-19H,2,9,11H2,1H3/t2*13-,17+,20-;2*13-,17-,20-;15-,18+,19+;2*15-,18-,19-/m1010010/s1.
What are the key properties of (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol?
(2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol has a molecular weight of 2040.68 g/mol, XLogP of 33.37, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R,4S,6S)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2S,4R,6R)-4-ethyl-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene;(2R)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9R,10S)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2R)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol;(2S)-1-[(9S,10R)-13-fluoro-10-methyl-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaenyl]butan-2-ol is sourced from PubChem (CID 158021896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158021896 — identifiers, structure, computed properties (public domain)
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