(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione

C24H34O4 — CID 163187609

IUPAC(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
SMILESC/C1=C\[C@H]2/C(=C(/C)CCC3(C)C(=O)C=C(C(C)C)[C@H]3CC1)OC(=O)[C@H]2[C@H](C)O
InChIInChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18+,19+,21-,24?/m0/s1
InChIKeyCCMBGMOYVQDEBC-UFVBQVQBSA-N
MW386.53 g/mol
LogP4.74
Rot. Bonds2

About (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione

(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione (PubChem CID 163187609) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione.

Molecular Properties

Compound Name(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
PubChem CID163187609
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
SMILESC/C1=C\[C@H]2/C(=C(/C)CCC3(C)C(=O)C=C(C(C)C)[C@H]3CC1)OC(=O)[C@H]2[C@H](C)O
InChIInChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18+,19+,21-,24?/m0/s1
InChIKeyCCMBGMOYVQDEBC-UFVBQVQBSA-N
XLogP4.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione with MolForge

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Related Compounds

8-(1-hydroxyethyl)-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
CID 162935118
(1S,8S,9S,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
CID 162935126
(3aR,5E,9E,12aS)-3a,6,10-trimethyl-1-propan-2-yl-4,7,8,11,12,12a-hexahydrocyclopenta[11]annulen-3-one
CID 162983817
3a,6,10-trimethyl-1-propan-2-ylidene-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one
CID 85100807
(1R,3aS,9S)-1,9-dihydroxy-3a,6-dimethyl-1-propan-2-yl-2,3,7,8,9,9a-hexahydrocyclopenta[8]annulen-4-one
CID 162817009
(1E,5S,10R,12Z,14R,16R,17S,20R)-16-hydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,18-dione
CID 102354386
2,4a,7-trimethyl-2-(4-methyl-3-oxopentyl)-4,8,9,9a-tetrahydro-3H-benzo[7]annulene-1,5-dione
CID 163159842
1-(2,4-dimethylcyclohex-3-en-1-yl)ethanol
CID 118112369
(1Z,12E)-18-hydroxy-2,5,13,18-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,8,12-triene-7,16-dione
CID 177489233
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
CID 130037393
6'-hydroxy-5,6',7a-trimethyl-3-propan-2-ylspiro[3a,5,6,7-tetrahydroindene-4,3'-cyclohexene]-1-one
CID 73199958
(1R,3aR,8aR)-3a,6-dimethyl-1-(6-methyl-4-oxoheptan-2-yl)-1,2,3,7,8,8a-hexahydroazulen-4-one
CID 10380343

Frequently Asked Questions

What is the IUPAC name of (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione?
The IUPAC name of (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione (CID 163187609) is (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione.
What is the SMILES notation for (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione?
The canonical SMILES for (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione is C/C1=C\[C@H]2/C(=C(/C)CCC3(C)C(=O)C=C(C(C)C)[C@H]3CC1)OC(=O)[C@H]2[C@H](C)O.
What is the InChIKey of (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione?
The InChIKey is CCMBGMOYVQDEBC-UFVBQVQBSA-N. The full InChI is InChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18+,19+,21-,24?/m0/s1.
What are the key properties of (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione?
(4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione has a molecular weight of 386.53 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8R,9R,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione is sourced from PubChem (CID 163187609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).