(3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one

C25H32O2 — CID 143827853

About (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one

(3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one (PubChem CID 143827853) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one.

Molecular Properties

• Compound Name: (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
• PubChem CID: 143827853
• Molecular Formula: C25H32O2
• Molecular Weight: 364.53 g/mol
• Exact Mass: 364.24
• IUPAC Name: (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one
• SMILES: C=CC1CC2=CC(=O)CCC2C2CC[C@@]3(CC)C(C12)C1C[C@@H]1C31C=CCO1
• InChI: InChI=1S/C25H32O2/c1-3-15-12-16-13-17(26)6-7-18(16)19-8-10-24(4-2)23(22(15)19)20-14-21(20)25(24)9-5-11-27-25/h3,5,9,13,15,18-23H,1,4,6-8,10-12,14H2,2H3/t15?,18?,19?,20?,21-,22?,23?,24-,25?/m0/s1
• InChIKey: IQQWRIBUEUKLJF-LQZKAFEXSA-N
• XLogP: 5.11
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.53
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one?

The IUPAC name of (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one (CID 143827853) is (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one.

What is the SMILES notation for (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one?

The canonical SMILES for (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one is C=CC1CC2=CC(=O)CCC2C2CC[C@@]3(CC)C(C12)C1C[C@@H]1C31C=CCO1.

What is the InChIKey of (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one?

The InChIKey is IQQWRIBUEUKLJF-LQZKAFEXSA-N. The full InChI is InChI=1S/C25H32O2/c1-3-15-12-16-13-17(26)6-7-18(16)19-8-10-24(4-2)23(22(15)19)20-14-21(20)25(24)9-5-11-27-25/h3,5,9,13,15,18-23H,1,4,6-8,10-12,14H2,2H3/t15?,18?,19?,20?,21-,22?,23?,24-,25?/m0/s1.

What are the key properties of (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one?

(3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one has a molecular weight of 364.53 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3'S,5'S,7'S)-18'-ethenyl-7'-ethylspiro[2H-furan-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-14'-one is sourced from PubChem (CID 143827853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).