6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

C43H64O10 — CID 5194

About 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (PubChem CID 5194) has the molecular formula C43H64O10 and a molecular weight of 740.98 g/mol. Its IUPAC name is 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

Molecular Properties

• Compound Name: 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• PubChem CID: 5194
• Molecular Formula: C43H64O10
• Molecular Weight: 740.98 g/mol
• Exact Mass: 740.45
• IUPAC Name: 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
• SMILES: COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)CC4OCC(=CC=CC2C)C43O)OC(C)C1O
• InChI: InChI=1S/C43H64O10/c1-25-19-34-41(45)50-33-21-32(52-42(23-33)18-17-28(4)40(53-42)30-12-8-7-9-13-30)16-15-27(3)39(51-37-22-35(47-6)38(44)29(5)49-37)26(2)11-10-14-31-24-48-36(20-25)43(31,34)46/h10-11,14-15,19,26,28-30,32-40,44,46H,7-9,12-13,16-18,20-24H2,1-6H3
• InChIKey: LNASWLBIATYITH-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 122.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.98
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The IUPAC name of 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CID 5194) is 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one.

What is the SMILES notation for 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The canonical SMILES for 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is COC1CC(OC2C(C)=CCC3CC(CC4(CCC(C)C(C5CCCCC5)O4)O3)OC(=O)C3C=C(C)CC4OCC(=CC=CC2C)C43O)OC(C)C1O.

What is the InChIKey of 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

The InChIKey is LNASWLBIATYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O10/c1-25-19-34-41(45)50-33-21-32(52-42(23-33)18-17-28(4)40(53-42)30-12-8-7-9-13-30)16-15-27(3)39(51-37-22-35(47-6)38(44)29(5)49-37)26(2)11-10-14-31-24-48-36(20-25)43(31,34)46/h10-11,14-15,19,26,28-30,32-40,44,46H,7-9,12-13,16-18,20-24H2,1-6H3.

What are the key properties of 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one?

6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one has a molecular weight of 740.98 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-cyclohexyl-24-hydroxy-12-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one is sourced from PubChem (CID 5194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).