tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane

C154H221N5O30 — CID 160815431

About tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane

tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane (PubChem CID 160815431) has the molecular formula C154H221N5O30 and a molecular weight of 2622.47 g/mol. Its IUPAC name is tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane.

Molecular Properties

• Compound Name: tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane
• PubChem CID: 160815431
• Molecular Formula: C154H221N5O30
• Molecular Weight: 2622.47 g/mol
• Exact Mass: 2620.59
• IUPAC Name: tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane
• SMILES: C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)/C(C#N)=C/C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C#N)O[C@H]1C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C#N)O[C@H]1C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C(N)=O)O[C@H]1[C@H](C)O)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1C(C)(O)NC2=O)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@H](C)OC2=O)C(=O)OC(C)(C)C.CC(C)C=O.CCC
• InChI: InChI=1S/2C25H35NO4.C25H35NO3.C24H33NO6.C24H35NO6.C24H32O6.C4H8O.C3H8/c2*1-9-20(23(28)30-24(6,7)8)15-18(4)13-11-10-12-14-19(5)21(27)25(16-26)22(29-25)17(2)3;1-9-21(24(28)29-25(6,7)8)16-19(4)13-11-10-12-14-20(5)23(27)22(17-26)15-18(2)3;1-8-17(19(27)30-22(4,5)6)14-15(2)12-10-9-11-13-16(3)18(26)24-20(31-24)23(7,29)25-21(24)28;1-8-18(21(28)31-23(5,6)7)14-15(2)12-10-9-11-13-16(3)19(27)24(22(25)29)20(30-24)17(4)26;1-8-18(21(26)30-23(5,6)7)14-15(2)12-10-9-11-13-16(3)19(25)24-20(29-24)17(4)28-22(24)27;1-4(2)3-5;1-3-2/h2*9,11,13-15,17,22H,10,12H2,1-8H3;9,11,13-16,18H,10,12H2,1-8H3;8,10,12-14,20,29H,9,11H2,1-7H3,(H,25,28);8,10,12-14,17,20,26H,9,11H2,1-7H3,(H2,25,29);8,10,12-14,17,20H,9,11H2,1-7H3;3-4H,1-2H3;3H2,1-2H3/b2*13-11+,18-15+,19-14+,20-9+;13-11+,19-16+,20-14+,21-9+,22-15+;12-10+,15-14+,16-13+,17-8+;2*12-10+,15-14+,16-13+,18-8+;;/t2*22-,25-;;20-,23?,24-;2*17-,20-,24-;;/m00.000../s1
• InChIKey: SEVMJMHAWRUKCV-ZIMYGJEMSA-N
• XLogP: 29.50
• TPSA: 550.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 54
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.47
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane?

The IUPAC name of tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane (CID 160815431) is tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane.

What is the SMILES notation for tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane?

The canonical SMILES for tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane is C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)/C(C#N)=C/C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C#N)O[C@H]1C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C#N)O[C@H]1C(C)C)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]1(C(N)=O)O[C@H]1[C@H](C)O)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1C(C)(O)NC2=O)C(=O)OC(C)(C)C.C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@H](C)OC2=O)C(=O)OC(C)(C)C.CC(C)C=O.CCC.

What is the InChIKey of tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane?

The InChIKey is SEVMJMHAWRUKCV-ZIMYGJEMSA-N. The full InChI is InChI=1S/2C25H35NO4.C25H35NO3.C24H33NO6.C24H35NO6.C24H32O6.C4H8O.C3H8/c2*1-9-20(23(28)30-24(6,7)8)15-18(4)13-11-10-12-14-19(5)21(27)25(16-26)22(29-25)17(2)3;1-9-21(24(28)29-25(6,7)8)16-19(4)13-11-10-12-14-20(5)23(27)22(17-26)15-18(2)3;1-8-17(19(27)30-22(4,5)6)14-15(2)12-10-9-11-13-16(3)18(26)24-20(31-24)23(7,29)25-21(24)28;1-8-18(21(28)31-23(5,6)7)14-15(2)12-10-9-11-13-16(3)19(27)24(22(25)29)20(30-24)17(4)26;1-8-18(21(26)30-23(5,6)7)14-15(2)12-10-9-11-13-16(3)19(25)24-20(29-24)17(4)28-22(24)27;1-4(2)3-5;1-3-2/h2*9,11,13-15,17,22H,10,12H2,1-8H3;9,11,13-16,18H,10,12H2,1-8H3;8,10,12-14,20,29H,9,11H2,1-7H3,(H,25,28);8,10,12-14,17,20,26H,9,11H2,1-7H3,(H2,25,29);8,10,12-14,17,20H,9,11H2,1-7H3;3-4H,1-2H3;3H2,1-2H3/b2*13-11+,18-15+,19-14+,20-9+;13-11+,19-16+,20-14+,21-9+,22-15+;12-10+,15-14+,16-13+,17-8+;2*12-10+,15-14+,16-13+,18-8+;;/t2*22-,25-;;20-,23?,24-;2*17-,20-,24-;;/m00.000../s1.

What are the key properties of tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane?

tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane has a molecular weight of 2622.47 g/mol, XLogP of 29.50, 54 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-carbamoyl-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E,12E)-12-cyano-2-ethylidene-4,10,14-trimethyl-11-oxopentadeca-3,5,9,12-tetraenoate;bis(tert-butyl (2E,3E,5E,9E)-11-[(2R,3S)-2-cyano-3-propan-2-yloxiran-2-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate);tert-butyl (2E,3E,5E,9E)-2-ethylidene-4,10-dimethyl-11-[(1R,4S,5S)-4-methyl-2-oxo-3,6-dioxabicyclo[3.1.0]hexan-1-yl]-11-oxoundeca-3,5,9-trienoate;tert-butyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate;2-methylpropanal;propane is sourced from PubChem (CID 160815431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).