[(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate

C30H45FO5 — CID 10505706

About [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate

[(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate (PubChem CID 10505706) has the molecular formula C30H45FO5 and a molecular weight of 504.68 g/mol. Its IUPAC name is [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate.

Molecular Properties

• Compound Name: [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate
• PubChem CID: 10505706
• Molecular Formula: C30H45FO5
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.33
• IUPAC Name: [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate
• SMILES: CCC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3C[C@H](O)[C@@H](F)C[C@@]32C)C2=C[C@@H]3O[C@]4(CC[C@H](C)CO4)[C@@H](C)[C@@H]3[C@]21C
• InChI: InChI=1S/C30H45FO5/c1-6-26(33)35-25-13-20-19(8-7-18-11-23(32)22(31)14-28(18,20)4)21-12-24-27(29(21,25)5)17(3)30(36-24)10-9-16(2)15-34-30/h12,16-20,22-25,27,32H,6-11,13-15H2,1-5H3/t16-,17-,18-,19+,20-,22-,23-,24-,25-,27-,28-,29+,30+/m0/s1
• InChIKey: LSOUGHAHCFYQEX-KHVWCLRLSA-N
• XLogP: 5.59
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate?

The IUPAC name of [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate (CID 10505706) is [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate.

What is the SMILES notation for [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate?

The canonical SMILES for [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate is CCC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3C[C@H](O)[C@@H](F)C[C@@]32C)C2=C[C@@H]3O[C@]4(CC[C@H](C)CO4)[C@@H](C)[C@@H]3[C@]21C.

What is the InChIKey of [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate?

The InChIKey is LSOUGHAHCFYQEX-KHVWCLRLSA-N. The full InChI is InChI=1S/C30H45FO5/c1-6-26(33)35-25-13-20-19(8-7-18-11-23(32)22(31)14-28(18,20)4)21-12-24-27(29(21,25)5)17(3)30(36-24)10-9-16(2)15-34-30/h12,16-20,22-25,27,32H,6-11,13-15H2,1-5H3/t16-,17-,18-,19+,20-,22-,23-,24-,25-,27-,28-,29+,30+/m0/s1.

What are the key properties of [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate?

[(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate has a molecular weight of 504.68 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,4S,5'S,6R,7S,8R,9R,10S,12S,13S,15S,16S,18S)-15-fluoro-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-2-ene-6,2'-oxane]-10-yl] propanoate is sourced from PubChem (CID 10505706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).