(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one

C23H27NO3 — CID 58109787

IUPAC(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one
SMILESC[C@]12CCC3C(C4CC4C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C23H27NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h5,7-8,12-13,15-18,20-21,26H,2-4,6,9-10H2,1H3/b24-11+/t12-,13?,15?,16?,17?,18?,20?,21?,22+,23+/m1/s1
InChIKeyCXEXDLHEHINMMX-PQIBQXIUSA-N
MW365.47 g/mol
LogP3.95
Rot. Bonds

About (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one

(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one (PubChem CID 58109787) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one.

Molecular Properties

Compound Name(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one
PubChem CID58109787
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one
SMILESC[C@]12CCC3C(C4CC4C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1
InChIInChI=1S/C23H27NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h5,7-8,12-13,15-18,20-21,26H,2-4,6,9-10H2,1H3/b24-11+/t12-,13?,15?,16?,17?,18?,20?,21?,22+,23+/m1/s1
InChIKeyCXEXDLHEHINMMX-PQIBQXIUSA-N
XLogP3.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one?
The IUPAC name of (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one (CID 58109787) is (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one.
What is the SMILES notation for (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one?
The canonical SMILES for (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one is C[C@]12CCC3C(C4CC4C4=C/C(=N/O)CC[C@@H]43)C1C1CC1[C@@]21C=CC(=O)O1.
What is the InChIKey of (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one?
The InChIKey is CXEXDLHEHINMMX-PQIBQXIUSA-N. The full InChI is InChI=1S/C23H27NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h5,7-8,12-13,15-18,20-21,26H,2-4,6,9-10H2,1H3/b24-11+/t12-,13?,15?,16?,17?,18?,20?,21?,22+,23+/m1/s1.
What are the key properties of (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one?
(5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one has a molecular weight of 365.47 g/mol, XLogP of 3.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7'E,10'R,14'S)-7'-hydroxyimino-14'-methylspiro[furan-5,15'-hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene]-2-one is sourced from PubChem (CID 58109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).