(1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one

C34H39NO5S — CID 11973011

About (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one

(1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one (PubChem CID 11973011) has the molecular formula C34H39NO5S and a molecular weight of 573.76 g/mol. Its IUPAC name is (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one.

Molecular Properties

• Compound Name: (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one
• PubChem CID: 11973011
• Molecular Formula: C34H39NO5S
• Molecular Weight: 573.76 g/mol
• Exact Mass: 573.25
• IUPAC Name: (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one
• SMILES: C[C@]12CC[C@H]3[C@@]4(C=C[C@@]5(C=C4C(=O)c4ccco4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]21CN(CCc2cccs2)C(=O)O1
• InChI: InChI=1S/C34H39NO5S/c1-30-11-7-22(36)19-32(30)14-15-34(24(20-32)28(37)25-6-3-17-39-25)26(30)8-12-31(2)27(34)9-13-33(31)21-35(29(38)40-33)16-10-23-5-4-18-41-23/h3-6,14-15,17-18,20,22,26-27,36H,7-13,16,19,21H2,1-2H3/t22-,26+,27+,30+,31-,32-,33+,34-/m0/s1
• InChIKey: NWJZJHNXQXWRDV-BZVGWTRQSA-N
• XLogP: 6.82
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.76
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?

The IUPAC name of (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one (CID 11973011) is (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one.

What is the SMILES notation for (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?

The canonical SMILES for (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one is C[C@]12CC[C@H]3[C@@]4(C=C[C@@]5(C=C4C(=O)c4ccco4)C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]21CN(CCc2cccs2)C(=O)O1.

What is the InChIKey of (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?

The InChIKey is NWJZJHNXQXWRDV-BZVGWTRQSA-N. The full InChI is InChI=1S/C34H39NO5S/c1-30-11-7-22(36)19-32(30)14-15-34(24(20-32)28(37)25-6-3-17-39-25)26(30)8-12-31(2)27(34)9-13-33(31)21-35(29(38)40-33)16-10-23-5-4-18-41-23/h3-6,14-15,17-18,20,22,26-27,36H,7-13,16,19,21H2,1-2H3/t22-,26+,27+,30+,31-,32-,33+,34-/m0/s1.

What are the key properties of (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?

(1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one has a molecular weight of 573.76 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-(furan-2-carbonyl)-13'-hydroxy-6',10'-dimethyl-3-(2-thiophen-2-ylethyl)spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one is sourced from PubChem (CID 11973011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).