(4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione

C93H145N3O15S3Si2 — CID 160842066

About (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione

(4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione (PubChem CID 160842066) has the molecular formula C93H145N3O15S3Si2 and a molecular weight of 1697.56 g/mol. Its IUPAC name is (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione.

Molecular Properties

• Compound Name: (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
• PubChem CID: 160842066
• Molecular Formula: C93H145N3O15S3Si2
• Molecular Weight: 1697.56 g/mol
• Exact Mass: 1695.94
• IUPAC Name: (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
• SMILES: C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1.C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\C1.C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1
• InChI: InChI=1S/2C33H53NO5SSi.C27H39NO5S/c1-21-14-13-15-22(2)30(36)24(4)31(37)33(9,10)28(39-41(11,12)32(6,7)8)19-29(35)38-27(17-16-21)23(3)18-26-20-40-25(5)34-26;1-21-14-13-15-22(2)30(39-41(11,12)32(6,7)8)24(4)31(37)33(9,10)28(35)19-29(36)38-27(17-16-21)23(3)18-26-20-40-25(5)34-26;1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h13,15-16,18,20,22,24,27-28,30,36H,14,17,19H2,1-12H3;13,15-16,18,20,22,24,27-28,30,35H,14,17,19H2,1-12H3;8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b2*15-13-,21-16-,23-18+;10-8-,16-11-,18-13+/t2*22-,24+,27-,28-,30-;17-,19+,22-,23-,25-/m000/s1
• InChIKey: SIDUFIASPPFUIE-XYCCHIIFSA-N
• XLogP: 21.19
• TPSA: 268.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.56
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione?

The IUPAC name of (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione (CID 160842066) is (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione.

What is the SMILES notation for (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione?

The canonical SMILES for (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione is C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1.C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\C1.C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1.

What is the InChIKey of (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione?

The InChIKey is SIDUFIASPPFUIE-XYCCHIIFSA-N. The full InChI is InChI=1S/2C33H53NO5SSi.C27H39NO5S/c1-21-14-13-15-22(2)30(36)24(4)31(37)33(9,10)28(39-41(11,12)32(6,7)8)19-29(35)38-27(17-16-21)23(3)18-26-20-40-25(5)34-26;1-21-14-13-15-22(2)30(39-41(11,12)32(6,7)8)24(4)31(37)33(9,10)28(35)19-29(36)38-27(17-16-21)23(3)18-26-20-40-25(5)34-26;1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h13,15-16,18,20,22,24,27-28,30,36H,14,17,19H2,1-12H3;13,15-16,18,20,22,24,27-28,30,35H,14,17,19H2,1-12H3;8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b2*15-13-,21-16-,23-18+;10-8-,16-11-,18-13+/t2*22-,24+,27-,28-,30-;17-,19+,22-,23-,25-/m000/s1.

What are the key properties of (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione?

(4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione has a molecular weight of 1697.56 g/mol, XLogP of 21.19, 10 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7R,8S,9S,10Z,13Z,16S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione;(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione is sourced from PubChem (CID 160842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).