(19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone

C43H69NO12 — CID 142025462

About (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone

(19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone (PubChem CID 142025462) has the molecular formula C43H69NO12 and a molecular weight of 792.02 g/mol. Its IUPAC name is (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone.

Molecular Properties

• Compound Name: (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone
• PubChem CID: 142025462
• Molecular Formula: C43H69NO12
• Molecular Weight: 792.02 g/mol
• Exact Mass: 791.48
• IUPAC Name: (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone
• SMILES: COC1CC(/C=C(\C)C2OC(=O)C3CCCCN3CC(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C\C(C)C(=O)CC(O)C2C)C(OC)CC3C)CCC1O
• InChI: InChI=1S/C43H69NO12/c1-24-16-25(2)18-37(53-8)40-38(54-9)20-28(5)43(51,56-40)41(49)35(48)23-44-15-11-10-12-31(44)42(50)55-39(29(6)34(47)22-33(46)26(3)17-24)27(4)19-30-13-14-32(45)36(21-30)52-7/h17,19,25-26,28-32,34,36-40,45,47,51H,10-16,18,20-23H2,1-9H3/b24-17-,27-19+
• InChIKey: YYEVZUQZGSSVPJ-FZKPNDTMSA-N
• XLogP: 4.13
• TPSA: 178.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.02
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone?

The IUPAC name of (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone (CID 142025462) is (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone.

What is the SMILES notation for (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone?

The canonical SMILES for (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone is COC1CC(/C=C(\C)C2OC(=O)C3CCCCN3CC(=O)C(=O)C3(O)OC(C(OC)CC(C)C/C(C)=C\C(C)C(=O)CC(O)C2C)C(OC)CC3C)CCC1O.

What is the InChIKey of (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone?

The InChIKey is YYEVZUQZGSSVPJ-FZKPNDTMSA-N. The full InChI is InChI=1S/C43H69NO12/c1-24-16-25(2)18-37(53-8)40-38(54-9)20-28(5)43(51,56-40)41(49)35(48)23-44-15-11-10-12-31(44)42(50)55-39(29(6)34(47)22-33(46)26(3)17-24)27(4)19-30-13-14-32(45)36(21-30)52-7/h17,19,25-26,28-32,34,36-40,45,47,51H,10-16,18,20-23H2,1-9H3/b24-17-,27-19+.

What are the key properties of (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone?

(19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone has a molecular weight of 792.02 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (19E)-1,15-dihydroxy-13-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-24,26-dimethoxy-14,18,20,22,28-pentamethyl-12,29-dioxa-5-azatricyclo[23.3.1.05,10]nonacos-19-ene-2,3,11,17-tetrone is sourced from PubChem (CID 142025462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).