CID 123980503

C24H28O3 — CID 123980503

IUPAC—
SMILESC[C@]12CCC3C4=C(CC(=O)CC4)C4(CC4)CC3C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C24H28O3/c1-22-6-4-14-15-3-2-13(25)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)27-24/h5,7,14,16-17,19,21H,2-4,6,8-12H2,1H3/t14?,16?,17?,19?,21?,22-,24-/m0/s1
InChIKeyJUWXGNVBCFIYCC-QYVAYJTOSA-N
MW364.49 g/mol
LogP4.37
Rot. Bonds

About CID 123980503

CID 123980503 (PubChem CID 123980503) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol.

Molecular Properties

Compound NameCID 123980503
PubChem CID123980503
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name—
SMILESC[C@]12CCC3C4=C(CC(=O)CC4)C4(CC4)CC3C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C24H28O3/c1-22-6-4-14-15-3-2-13(25)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)27-24/h5,7,14,16-17,19,21H,2-4,6,8-12H2,1H3/t14?,16?,17?,19?,21?,22-,24-/m0/s1
InChIKeyJUWXGNVBCFIYCC-QYVAYJTOSA-N
XLogP4.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 123980503 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

(5S,7'S)-7'-methyl-17'-methylidenespiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2,14'-dione
CID 123450274
(1'R,2'S,3'S,5S,5'S,7'S,10'S,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-2,14'-dione
CID 123936279
(2'R,5S,10'R,14'S,16'S,18'S)-10',14'-dimethylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-4-ene]-2,7'-dione
CID 123224827
CID 58109792
CID 58109792
(1'R,2'R,3'R,5S,5'R,7'S,10'S,11'R)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 42642633
(1'S,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-18'-ethenyl-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-16-ene]-2,14'-dione
CID 123624735
(5S,7'S,11'R,14'E)-14'-hydroxyimino-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2-one
CID 58109791
(5S,7'S,11'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109813
(1'R,2'S,3'R,5S,5'R,7'S,10'S,11'R,18'R)-7',18'-dimethylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109811
(5S,7'S)-7'-methyl-17'-methylidenespiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-11(16)-ene]-14'-one
CID 123588100
(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R,17'R)-17'-(hydroxymethyl)-7'-methylspiro[furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
CID 58109805
(4'R,5S,14'S,16'S,18'S)-10',14'-dimethylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2,7'-dione
CID 70822293

Frequently Asked Questions

What is the IUPAC name of CID 123980503?
The IUPAC name of CID 123980503 (CID 123980503) is not available.
What is the SMILES notation for CID 123980503?
The canonical SMILES for CID 123980503 is C[C@]12CCC3C4=C(CC(=O)CC4)C4(CC4)CC3C1C1CC1[C@@]21C=CC(=O)O1.
What is the InChIKey of CID 123980503?
The InChIKey is JUWXGNVBCFIYCC-QYVAYJTOSA-N. The full InChI is InChI=1S/C24H28O3/c1-22-6-4-14-15-3-2-13(25)10-18(15)23(8-9-23)12-17(14)21(22)16-11-19(16)24(22)7-5-20(26)27-24/h5,7,14,16-17,19,21H,2-4,6,8-12H2,1H3/t14?,16?,17?,19?,21?,22-,24-/m0/s1.
What are the key properties of CID 123980503?
CID 123980503 has a molecular weight of 364.49 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123980503 is sourced from PubChem (CID 123980503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).