17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione

C34H43NO8 — CID 139585792

IUPAC17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione
SMILESCOc1c(O)c(C)c2c(c1O)C1OC2C2C(=O)C(O)CCC(C)=CC3C=C(C)C(C)C4C(CC(C)C)NC(=O)C34C(=O)C12
InChIInChI=1S/C34H43NO8/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-9-20(36)27(38)23-24(32(40)34(18,25)33(41)35-19)30-22-21(29(23)43-30)17(6)26(37)31(42-7)28(22)39/h11-13,16,18-20,23-25,29-30,36-37,39H,8-10H2,1-7H3,(H,35,41)
InChIKeyHMFDSIGNMYZFJO-UHFFFAOYSA-N
MW593.72 g/mol
LogP4.37
Rot. Bonds3

About 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione

17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione (PubChem CID 139585792) has the molecular formula C34H43NO8 and a molecular weight of 593.72 g/mol. Its IUPAC name is 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione.

Molecular Properties

Compound Name17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione
PubChem CID139585792
Molecular FormulaC34H43NO8
Molecular Weight593.72 g/mol
Exact Mass593.30
IUPAC Name17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione
SMILESCOc1c(O)c(C)c2c(c1O)C1OC2C2C(=O)C(O)CCC(C)=CC3C=C(C)C(C)C4C(CC(C)C)NC(=O)C34C(=O)C12
InChIInChI=1S/C34H43NO8/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-9-20(36)27(38)23-24(32(40)34(18,25)33(41)35-19)30-22-21(29(23)43-30)17(6)26(37)31(42-7)28(22)39/h11-13,16,18-20,23-25,29-30,36-37,39H,8-10H2,1-7H3,(H,35,41)
InChIKeyHMFDSIGNMYZFJO-UHFFFAOYSA-N
XLogP4.37
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.72
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione 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 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione?
The IUPAC name of 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione (CID 139585792) is 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione.
What is the SMILES notation for 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione?
The canonical SMILES for 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione is COc1c(O)c(C)c2c(c1O)C1OC2C2C(=O)C(O)CCC(C)=CC3C=C(C)C(C)C4C(CC(C)C)NC(=O)C34C(=O)C12.
What is the InChIKey of 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione?
The InChIKey is HMFDSIGNMYZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43NO8/c1-13(2)10-19-25-16(5)15(4)12-18-11-14(3)8-9-20(36)27(38)23-24(32(40)34(18,25)33(41)35-19)30-22-21(29(23)43-30)17(6)26(37)31(42-7)28(22)39/h11-13,16,18-20,23-25,29-30,36-37,39H,8-10H2,1-7H3,(H,35,41).
What are the key properties of 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione?
17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione has a molecular weight of 593.72 g/mol, XLogP of 4.37, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17,23,25-trihydroxy-24-methoxy-9,10,14,22-tetramethyl-7-(2-methylpropyl)-27-oxa-6-azahexacyclo[18.6.1.02,19.04,8.04,12.021,26]heptacosa-10,13,21,23,25-pentaene-3,5,18-trione is sourced from PubChem (CID 139585792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).