(5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

C25H32O3 — CID 59612687

About (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

(5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione (PubChem CID 59612687) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione.

Molecular Properties

• Compound Name: (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
• PubChem CID: 59612687
• Molecular Formula: C25H32O3
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.24
• IUPAC Name: (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
• SMILES: C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(CC)C(C4CC4[C@@]34CCC(=O)O4)C12
• InChI: InChI=1S/C25H32O3/c1-3-14-11-15-12-16(26)5-6-17(15)18-7-9-24(4-2)23(22(14)18)19-13-20(19)25(24)10-8-21(27)28-25/h3,12,14,17-20,22-23H,1,4-11,13H2,2H3/t14?,17-,18?,19?,20?,22?,23?,24-,25-/m0/s1
• InChIKey: CFFJPUTVOPAFPW-FNNQUGSVSA-N
• XLogP: 4.86
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The IUPAC name of (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione (CID 59612687) is (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione.

What is the SMILES notation for (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The canonical SMILES for (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione is C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(CC)C(C4CC4[C@@]34CCC(=O)O4)C12.

What is the InChIKey of (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The InChIKey is CFFJPUTVOPAFPW-FNNQUGSVSA-N. The full InChI is InChI=1S/C25H32O3/c1-3-14-11-15-12-16(26)5-6-17(15)18-7-9-24(4-2)23(22(14)18)19-13-20(19)25(24)10-8-21(27)28-25/h3,12,14,17-20,22-23H,1,4-11,13H2,2H3/t14?,17-,18?,19?,20?,22?,23?,24-,25-/m0/s1.

What are the key properties of (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

(5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione has a molecular weight of 380.53 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7'S,11'R)-18'-ethenyl-7'-ethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione is sourced from PubChem (CID 59612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).