(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide

C41H71NO8 — CID 159017064

IUPAC(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide
SMILESC/C=C/C(O)C/C=C/CC(C)C(O)CC(=O)CCC(O)C(C)C(=O)NCCCC1OC2(CCC1C)COCC(CCC(C)/C=C(\C)C(C)O)C2
InChIInChI=1S/C41H71NO8/c1-8-12-35(44)14-10-9-13-29(3)38(47)24-36(45)18-19-37(46)32(6)40(48)42-22-11-15-39-30(4)20-21-41(50-39)25-34(26-49-27-41)17-16-28(2)23-31(5)33(7)43/h8-10,12,23,28-30,32-35,37-39,43-44,46-47H,11,13-22,24-27H2,1-7H3,(H,42,48)/b10-9+,12-8+,31-23+
InChIKeyVBGYHWSGRXAERX-DWNFWUFOSA-N
MW706.02 g/mol
LogP6.22
Rot. Bonds22

About (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide

(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide (PubChem CID 159017064) has the molecular formula C41H71NO8 and a molecular weight of 706.02 g/mol. Its IUPAC name is (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide.

Molecular Properties

Compound Name(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide
PubChem CID159017064
Molecular FormulaC41H71NO8
Molecular Weight706.02 g/mol
Exact Mass705.52
IUPAC Name(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide
SMILESC/C=C/C(O)C/C=C/CC(C)C(O)CC(=O)CCC(O)C(C)C(=O)NCCCC1OC2(CCC1C)COCC(CCC(C)/C=C(\C)C(C)O)C2
InChIInChI=1S/C41H71NO8/c1-8-12-35(44)14-10-9-13-29(3)38(47)24-36(45)18-19-37(46)32(6)40(48)42-22-11-15-39-30(4)20-21-41(50-39)25-34(26-49-27-41)17-16-28(2)23-31(5)33(7)43/h8-10,12,23,28-30,32-35,37-39,43-44,46-47H,11,13-22,24-27H2,1-7H3,(H,42,48)/b10-9+,12-8+,31-23+
InChIKeyVBGYHWSGRXAERX-DWNFWUFOSA-N
XLogP6.22
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.02
LogP ≤ 56.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide?
The IUPAC name of (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide (CID 159017064) is (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide.
What is the SMILES notation for (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide?
The canonical SMILES for (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide is C/C=C/C(O)C/C=C/CC(C)C(O)CC(=O)CCC(O)C(C)C(=O)NCCCC1OC2(CCC1C)COCC(CCC(C)/C=C(\C)C(C)O)C2.
What is the InChIKey of (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide?
The InChIKey is VBGYHWSGRXAERX-DWNFWUFOSA-N. The full InChI is InChI=1S/C41H71NO8/c1-8-12-35(44)14-10-9-13-29(3)38(47)24-36(45)18-19-37(46)32(6)40(48)42-22-11-15-39-30(4)20-21-41(50-39)25-34(26-49-27-41)17-16-28(2)23-31(5)33(7)43/h8-10,12,23,28-30,32-35,37-39,43-44,46-47H,11,13-22,24-27H2,1-7H3,(H,42,48)/b10-9+,12-8+,31-23+.
What are the key properties of (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide?
(11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide has a molecular weight of 706.02 g/mol, XLogP of 6.22, 22 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,15E)-3,8,14-trihydroxy-N-[3-[10-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,8-dioxaspiro[5.5]undecan-2-yl]propyl]-2,9-dimethyl-6-oxoheptadeca-11,15-dienamide is sourced from PubChem (CID 159017064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).