6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol

C39H63NO11 — CID 78173081

About 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol

6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 78173081) has the molecular formula C39H63NO11 and a molecular weight of 721.93 g/mol. Its IUPAC name is 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 78173081
• Molecular Formula: C39H63NO11
• Molecular Weight: 721.93 g/mol
• Exact Mass: 721.44
• IUPAC Name: 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(C)C(O)C(OCC7OC(O)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C
• InChI: InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3
• InChIKey: SGEKLQMLYWFVFY-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 179.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	721.93
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The IUPAC name of 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 78173081) is 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol.

What is the SMILES notation for 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The canonical SMILES for 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol is CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(C)C(O)C(OCC7OC(O)C(O)C(O)C7O)C6O)CCC5(C)C4CCC3(C)C1C2C.

What is the InChIKey of 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The InChIKey is SGEKLQMLYWFVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3.

What are the key properties of 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol?

6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 721.93 g/mol, XLogP of 1.96, 5 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3,5-dihydroxy-2-methyl-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxyoxan-4-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 78173081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).