6'-ethyl-24-hydroxy-21-methoxy-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

C33H48O7 — CID 85136665

About 6'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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 85136665) has the molecular formula C33H48O7 and a molecular weight of 556.74 g/mol. Its IUPAC name is 6'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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: 85136665
• Molecular Formula: C33H48O7
• Molecular Weight: 556.74 g/mol
• Exact Mass: 556.34
• IUPAC Name: 6'-ethyl-24-hydroxy-21-methoxy-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: CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2
• InChI: InChI=1S/C33H48O7/c1-7-28-22(4)13-14-32(40-28)18-26-17-25(39-32)12-11-21(3)15-20(2)9-8-10-24-19-37-30-29(36-6)23(5)16-27(31(34)38-26)33(24,30)35/h8-11,16,20,22,25-30,35H,7,12-15,17-19H2,1-6H3
• InChIKey: SEYJRKYSPOJXIB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.74
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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 85136665) is 6'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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 CCC1OC2(CCC1C)CC1CC(CC=C(C)CC(C)C=CC=C3COC4C(OC)C(C)=CC(C(=O)O1)C34O)O2.

What is the InChIKey of 6'-ethyl-24-hydroxy-21-methoxy-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 SEYJRKYSPOJXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O7/c1-7-28-22(4)13-14-32(40-28)18-26-17-25(39-32)12-11-21(3)15-20(2)9-8-10-24-19-37-30-29(36-6)23(5)16-27(31(34)38-26)33(24,30)35/h8-11,16,20,22,25-30,35H,7,12-15,17-19H2,1-6H3.

What are the key properties of 6'-ethyl-24-hydroxy-21-methoxy-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'-ethyl-24-hydroxy-21-methoxy-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 556.74 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-ethyl-24-hydroxy-21-methoxy-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 85136665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).