(4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one

C60H78N2O12S2 — CID 158698855

About (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one

(4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one (PubChem CID 158698855) has the molecular formula C60H78N2O12S2 and a molecular weight of 1083.42 g/mol. Its IUPAC name is (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
• PubChem CID: 158698855
• Molecular Formula: C60H78N2O12S2
• Molecular Weight: 1083.42 g/mol
• Exact Mass: 1082.50
• IUPAC Name: (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one
• SMILES: COc1ccc(CN2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CCC/C=C/C=C/CC/C(C)=C\C(=O)O3)O2)cc1.COc1ccc(CN2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CCC/C=C\C=C\CC/C(C)=C\C(=O)O3)O2)cc1
• InChI: InChI=1S/2C30H39NO6S/c2*1-22-11-9-7-5-4-6-8-10-12-25-18-26(36-28(32)17-22)19-30(35-3,37-25)27-21-38-29(33)31(27)20-23-13-15-24(34-2)16-14-23/h2*4-7,13-17,25-27H,8-12,18-21H2,1-3H3/b6-4+,7-5+,22-17-;6-4-,7-5+,22-17-/t2*25-,26-,27+,30-/m11/s1
• InChIKey: IHGXCMGLYLKMFB-CSRUSSSQSA-N
• XLogP: 12.38
• TPSA: 148.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1083.42
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?

The IUPAC name of (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one (CID 158698855) is (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?

The canonical SMILES for (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one is COc1ccc(CN2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CCC/C=C/C=C/CC/C(C)=C\C(=O)O3)O2)cc1.COc1ccc(CN2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CCC/C=C\C=C\CC/C(C)=C\C(=O)O3)O2)cc1.

What is the InChIKey of (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?

The InChIKey is IHGXCMGLYLKMFB-CSRUSSSQSA-N. The full InChI is InChI=1S/2C30H39NO6S/c2*1-22-11-9-7-5-4-6-8-10-12-25-18-26(36-28(32)17-22)19-30(35-3,37-25)27-21-38-29(33)31(27)20-23-13-15-24(34-2)16-14-23/h2*4-7,13-17,25-27H,8-12,18-21H2,1-3H3/b6-4+,7-5+,22-17-;6-4-,7-5+,22-17-/t2*25-,26-,27+,30-/m11/s1.

What are the key properties of (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one?

(4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one has a molecular weight of 1083.42 g/mol, XLogP of 12.38, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R,4Z,8E,10Z,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one;(4R)-4-[(1R,4Z,8E,10E,15R,17R)-17-methoxy-5-methyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 158698855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).