5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

C157H220N10O35Si2 — CID 159933279

About 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (PubChem CID 159933279) has the molecular formula C157H220N10O35Si2 and a molecular weight of 2863.69 g/mol. Its IUPAC name is 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

Molecular Properties

• Compound Name: 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
• PubChem CID: 159933279
• Molecular Formula: C157H220N10O35Si2
• Molecular Weight: 2863.69 g/mol
• Exact Mass: 2861.53
• IUPAC Name: 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
• SMILES: CC1/C=C\[C@@H](C)[C@H](C)OC(=O)c2c(O)cc(OCCn3ccnc3)cc2/C=C/C[C@@H]2OC(C)(C)O[C@H]12.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(OCCn3ccnc3)cc(O)c2C(=O)O[C@H]1C.C[C@H](/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(O)cc2c1C(=O)OC(C)(C)O2.C[C@H](/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(OCCn2ccnc2)cc2c1C(=O)OC(C)(C)O2.C[C@H](O)[C@H](C)/C=C\[C@@H](C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(OCCn2ccnc2)cc2c1C(=O)OC(C)(C)O2.OCCn1ccnc1
• InChI: InChI=1S/C37H56N2O7Si.C32H50O7Si.C31H42N2O7.C28H36N2O6.C24H28N2O7.C5H8N2O/c1-25(27(3)46-47(11,12)35(4,5)6)16-17-26(2)33-30(42-36(7,8)44-33)15-13-14-28-22-29(41-21-20-39-19-18-38-24-39)23-31-32(28)34(40)45-37(9,10)43-31;1-20(22(3)39-40(11,12)30(4,5)6)16-17-21(2)28-25(35-31(7,8)37-28)15-13-14-23-18-24(33)19-26-27(23)29(34)38-32(9,10)36-26;1-20(22(3)34)11-12-21(2)28-25(37-30(4,5)39-28)10-8-9-23-17-24(36-16-15-33-14-13-32-19-33)18-26-27(23)29(35)40-31(6,7)38-26;1-18-9-10-19(2)26-24(35-28(4,5)36-26)8-6-7-21-15-22(33-14-13-30-12-11-29-17-30)16-23(31)25(21)27(32)34-20(18)3;1-15-6-7-20(28)23(30)19(27)5-3-4-17-12-18(32-11-10-26-9-8-25-14-26)13-21(29)22(17)24(31)33-16(15)2;8-4-3-7-2-1-6-5-7/h13-14,16-19,22-27,30,33H,15,20-21H2,1-12H3;13-14,16-22,25,28,33H,15H2,1-12H3;8-9,11-14,17-22,25,28,34H,10,15-16H2,1-7H3;6-7,9-12,15-20,24,26,31H,8,13-14H2,1-5H3;3-4,6-9,12-16,19,23,27,29-30H,5,10-11H2,1-2H3;1-2,5,8H,3-4H2/b2*14-13+,17-16-;9-8+,12-11-;7-6+,10-9-;4-3+,7-6-;/t25-,26-,27+,30+,33-;2*20-,21-,22+,25+,28-;18-,19?,20+,24+,26-;15-,16+,19+,23+;/m11111./s1
• InChIKey: NZXMQLJTMNIETP-RRVGFJCNSA-N
• XLogP: 28.60
• TPSA: 536.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 43
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2863.69
LogP ≤ 5	28.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

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 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The IUPAC name of 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (CID 159933279) is 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

What is the SMILES notation for 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The canonical SMILES for 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is CC1/C=C\[C@@H](C)[C@H](C)OC(=O)c2c(O)cc(OCCn3ccnc3)cc2/C=C/C[C@@H]2OC(C)(C)O[C@H]12.C[C@@H]1/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(OCCn3ccnc3)cc(O)c2C(=O)O[C@H]1C.C[C@H](/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(O)cc2c1C(=O)OC(C)(C)O2.C[C@H](/C=C\[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(OCCn2ccnc2)cc2c1C(=O)OC(C)(C)O2.C[C@H](O)[C@H](C)/C=C\[C@@H](C)[C@H]1OC(C)(C)O[C@H]1C/C=C/c1cc(OCCn2ccnc2)cc2c1C(=O)OC(C)(C)O2.OCCn1ccnc1.

What is the InChIKey of 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

The InChIKey is NZXMQLJTMNIETP-RRVGFJCNSA-N. The full InChI is InChI=1S/C37H56N2O7Si.C32H50O7Si.C31H42N2O7.C28H36N2O6.C24H28N2O7.C5H8N2O/c1-25(27(3)46-47(11,12)35(4,5)6)16-17-26(2)33-30(42-36(7,8)44-33)15-13-14-28-22-29(41-21-20-39-19-18-38-24-39)23-31-32(28)34(40)45-37(9,10)43-31;1-20(22(3)39-40(11,12)30(4,5)6)16-17-21(2)28-25(35-31(7,8)37-28)15-13-14-23-18-24(33)19-26-27(23)29(34)38-32(9,10)36-26;1-20(22(3)34)11-12-21(2)28-25(37-30(4,5)39-28)10-8-9-23-17-24(36-16-15-33-14-13-32-19-33)18-26-27(23)29(35)40-31(6,7)38-26;1-18-9-10-19(2)26-24(35-28(4,5)36-26)8-6-7-21-15-22(33-14-13-30-12-11-29-17-30)16-23(31)25(21)27(32)34-20(18)3;1-15-6-7-20(28)23(30)19(27)5-3-4-17-12-18(32-11-10-26-9-8-25-14-26)13-21(29)22(17)24(31)33-16(15)2;8-4-3-7-2-1-6-5-7/h13-14,16-19,22-27,30,33H,15,20-21H2,1-12H3;13-14,16-22,25,28,33H,15H2,1-12H3;8-9,11-14,17-22,25,28,34H,10,15-16H2,1-7H3;6-7,9-12,15-20,24,26,31H,8,13-14H2,1-5H3;3-4,6-9,12-16,19,23,27,29-30H,5,10-11H2,1-2H3;1-2,5,8H,3-4H2/b2*14-13+,17-16-;9-8+,12-11-;7-6+,10-9-;4-3+,7-6-;/t25-,26-,27+,30+,33-;2*20-,21-,22+,25+,28-;18-,19?,20+,24+,26-;15-,16+,19+,23+;/m11111./s1.

What are the key properties of 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?

5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione has a molecular weight of 2863.69 g/mol, XLogP of 28.60, 43 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-hydroxy-2,2-dimethyl-1,3-benzodioxin-4-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;(2E,5S,9R,11Z,13R,14S)-18-hydroxy-20-(2-imidazol-1-ylethoxy)-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;5-[(E)-3-[(4S,5R)-5-[(Z,2R,5R,6S)-6-hydroxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-7-(2-imidazol-1-ylethoxy)-2,2-dimethyl-1,3-benzodioxin-4-one;2-imidazol-1-ylethanol;(4S,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-16-(2-imidazol-1-ylethoxy)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is sourced from PubChem (CID 159933279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).