9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione

C144H156N4O40 — CID 160963969

IUPAC9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione
SMILESCOc1c(NCCOCCO)c2c(=O)cc(CO)c3c4c(CO)cc(O)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(=O)c5c(NCCOCCO)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(NCCOCCO)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c2c3c4c(c(CCCOCCO)c(O)c5c(=O)cc(CO)c(c6c(CO)cc(NCCOCCO)c(c1=O)c63)c54)C=C(C)C2
InChIInChI=1S/4C36H39NO10/c1-18-12-22-21(4-3-8-46-10-6-38)35(44)31-25(43)15-20(17-41)27-26-19(16-40)14-24(42)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)34(30)37-5-9-47-11-7-39;1-18-12-22-21(4-3-8-46-10-6-38)34(43)31-25(42)15-20(17-41)27-26-19(16-40)14-24(37-5-9-47-11-7-39)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)35(30)44;1-18-12-22-21(4-3-8-46-10-6-38)34(37-5-9-47-11-7-39)30-24(42)14-19(16-40)26-27-20(17-41)15-25(43)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44;1-18-12-22-21(4-3-8-46-10-6-38)34(43)30-24(37-5-9-47-11-7-39)14-19(16-40)26-27-20(17-41)15-25(42)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44/h2*12,14-15,37-41,43H,3-11,13,16-17H2,1-2H3;2*12,14-15,37-41,44H,3-11,13,16-17H2,1-2H3
InChIKeyYIJJUEUOYFOSBW-UHFFFAOYSA-N
MW2582.82 g/mol
LogP11.66
Rot. Bonds60

About 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione

9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione (PubChem CID 160963969) has the molecular formula C144H156N4O40 and a molecular weight of 2582.82 g/mol. Its IUPAC name is 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione.

Molecular Properties

Compound Name9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione
PubChem CID160963969
Molecular FormulaC144H156N4O40
Molecular Weight2582.82 g/mol
Exact Mass2581.03
IUPAC Name9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione
SMILESCOc1c(NCCOCCO)c2c(=O)cc(CO)c3c4c(CO)cc(O)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(=O)c5c(NCCOCCO)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(NCCOCCO)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c2c3c4c(c(CCCOCCO)c(O)c5c(=O)cc(CO)c(c6c(CO)cc(NCCOCCO)c(c1=O)c63)c54)C=C(C)C2
InChIInChI=1S/4C36H39NO10/c1-18-12-22-21(4-3-8-46-10-6-38)35(44)31-25(43)15-20(17-41)27-26-19(16-40)14-24(42)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)34(30)37-5-9-47-11-7-39;1-18-12-22-21(4-3-8-46-10-6-38)34(43)31-25(42)15-20(17-41)27-26-19(16-40)14-24(37-5-9-47-11-7-39)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)35(30)44;1-18-12-22-21(4-3-8-46-10-6-38)34(37-5-9-47-11-7-39)30-24(42)14-19(16-40)26-27-20(17-41)15-25(43)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44;1-18-12-22-21(4-3-8-46-10-6-38)34(43)30-24(37-5-9-47-11-7-39)14-19(16-40)26-27-20(17-41)15-25(42)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44/h2*12,14-15,37-41,43H,3-11,13,16-17H2,1-2H3;2*12,14-15,37-41,44H,3-11,13,16-17H2,1-2H3
InChIKeyYIJJUEUOYFOSBW-UHFFFAOYSA-N
XLogP11.66
TPSA700.04 Ų
H-Bond Donors24
H-Bond Acceptors44
Rotatable Bonds60
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002582.82
LogP ≤ 511.66
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione?
The IUPAC name of 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione (CID 160963969) is 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione.
What is the SMILES notation for 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione?
The canonical SMILES for 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione is COc1c(NCCOCCO)c2c(=O)cc(CO)c3c4c(CO)cc(O)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(=O)c5c(NCCOCCO)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(NCCOCCO)c5c(=O)c(CCCOCCO)c6c(c(c1CC(C)=C6)c23)c54.COc1c2c3c4c(c(CCCOCCO)c(O)c5c(=O)cc(CO)c(c6c(CO)cc(NCCOCCO)c(c1=O)c63)c54)C=C(C)C2.
What is the InChIKey of 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione?
The InChIKey is YIJJUEUOYFOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C36H39NO10/c1-18-12-22-21(4-3-8-46-10-6-38)35(44)31-25(43)15-20(17-41)27-26-19(16-40)14-24(42)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)34(30)37-5-9-47-11-7-39;1-18-12-22-21(4-3-8-46-10-6-38)34(43)31-25(42)15-20(17-41)27-26-19(16-40)14-24(37-5-9-47-11-7-39)30-32(26)29(28(22)33(27)31)23(13-18)36(45-2)35(30)44;1-18-12-22-21(4-3-8-46-10-6-38)34(37-5-9-47-11-7-39)30-24(42)14-19(16-40)26-27-20(17-41)15-25(43)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44;1-18-12-22-21(4-3-8-46-10-6-38)34(43)30-24(37-5-9-47-11-7-39)14-19(16-40)26-27-20(17-41)15-25(42)31-33(27)29(28(22)32(26)30)23(13-18)36(45-2)35(31)44/h2*12,14-15,37-41,43H,3-11,13,16-17H2,1-2H3;2*12,14-15,37-41,44H,3-11,13,16-17H2,1-2H3.
What are the key properties of 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione?
9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione has a molecular weight of 2582.82 g/mol, XLogP of 11.66, 60 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;9-hydroxy-19-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione;17-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-10-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-16-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,8,10,12,16,18(23),20-decaene-7,19-dione;19-hydroxy-9-[2-(2-hydroxyethoxy)ethylamino]-16-[3-(2-hydroxyethoxy)propyl]-5,21-bis(hydroxymethyl)-10-methoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2(11),3(8),4(22),5,9,13,15,18,20-decaene-7,17-dione is sourced from PubChem (CID 160963969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).