(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one

C32H46O7 — CID 11353254

IUPAC(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one
SMILESCC1=C/[C@H]2O[C@@H](C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/1)O[C@@H](C/C=C\CCO)[C@]3(C)CO)C[C@H](O)[C@H]2C
InChIInChI=1S/C32H46O7/c1-23-13-7-4-8-15-26-21-30(32(3,22-34)29(38-26)16-10-6-12-18-33)39-31(36)17-11-5-9-14-25-20-27(35)24(2)28(19-23)37-25/h5-11,13,15,17,19,24-30,33-35H,4,12,14,16,18,20-22H2,1-3H3/b9-5+,10-6-,13-7+,15-8+,17-11+,23-19-/t24-,25+,26-,27+,28-,29+,30-,32+/m1/s1
InChIKeyHRCMYNKYIWEDBE-CCHKTCALSA-N
MW542.71 g/mol
LogP4.50
Rot. Bonds5

About (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one

(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one (PubChem CID 11353254) has the molecular formula C32H46O7 and a molecular weight of 542.71 g/mol. Its IUPAC name is (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one.

Molecular Properties

Compound Name(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one
PubChem CID11353254
Molecular FormulaC32H46O7
Molecular Weight542.71 g/mol
Exact Mass542.32
IUPAC Name(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one
SMILESCC1=C/[C@H]2O[C@@H](C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/1)O[C@@H](C/C=C\CCO)[C@]3(C)CO)C[C@H](O)[C@H]2C
InChIInChI=1S/C32H46O7/c1-23-13-7-4-8-15-26-21-30(32(3,22-34)29(38-26)16-10-6-12-18-33)39-31(36)17-11-5-9-14-25-20-27(35)24(2)28(19-23)37-25/h5-11,13,15,17,19,24-30,33-35H,4,12,14,16,18,20-22H2,1-3H3/b9-5+,10-6-,13-7+,15-8+,17-11+,23-19-/t24-,25+,26-,27+,28-,29+,30-,32+/m1/s1
InChIKeyHRCMYNKYIWEDBE-CCHKTCALSA-N
XLogP4.50
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.71
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one 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 (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one?
The IUPAC name of (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one (CID 11353254) is (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one.
What is the SMILES notation for (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one?
The canonical SMILES for (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one is CC1=C/[C@H]2O[C@@H](C/C=C/C=C/C(=O)O[C@@H]3C[C@@H](/C=C/C/C=C/1)O[C@@H](C/C=C\CCO)[C@]3(C)CO)C[C@H](O)[C@H]2C.
What is the InChIKey of (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one?
The InChIKey is HRCMYNKYIWEDBE-CCHKTCALSA-N. The full InChI is InChI=1S/C32H46O7/c1-23-13-7-4-8-15-26-21-30(32(3,22-34)29(38-26)16-10-6-12-18-33)39-31(36)17-11-5-9-14-25-20-27(35)24(2)28(19-23)37-25/h5-11,13,15,17,19,24-30,33-35H,4,12,14,16,18,20-22H2,1-3H3/b9-5+,10-6-,13-7+,15-8+,17-11+,23-19-/t24-,25+,26-,27+,28-,29+,30-,32+/m1/s1.
What are the key properties of (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one?
(1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one has a molecular weight of 542.71 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,6E,9S,11S,12R,13R,14Z,16E,19E,21S,23S,24S)-11-hydroxy-24-(hydroxymethyl)-23-[(Z)-5-hydroxypent-2-enyl]-12,15,24-trimethyl-2,22,26-trioxatricyclo[19.3.1.19,13]hexacosa-4,6,14,16,19-pentaen-3-one is sourced from PubChem (CID 11353254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).