6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one

C26H32O4 — CID 126500263

IUPAC6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one
SMILESCC1(C)C(=O)C=CC2(C)C1=C(O)CC1(C)C2CCC2(C)C(c3ccoc3)CC3OC321
InChIInChI=1S/C26H32O4/c1-22(2)19(28)7-9-23(3)18-6-10-24(4)16(15-8-11-29-14-15)12-20-26(24,30-20)25(18,5)13-17(27)21(22)23/h7-9,11,14,16,18,20,27H,6,10,12-13H2,1-5H3
InChIKeyHKKBSVNUECNLSF-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.71
Rot. Bonds1

About 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one

6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one (PubChem CID 126500263) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one.

Molecular Properties

Compound Name6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one
PubChem CID126500263
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one
SMILESCC1(C)C(=O)C=CC2(C)C1=C(O)CC1(C)C2CCC2(C)C(c3ccoc3)CC3OC321
InChIInChI=1S/C26H32O4/c1-22(2)19(28)7-9-23(3)18-6-10-24(4)16(15-8-11-29-14-15)12-20-26(24,30-20)25(18,5)13-17(27)21(22)23/h7-9,11,14,16,18,20,27H,6,10,12-13H2,1-5H3
InChIKeyHKKBSVNUECNLSF-UHFFFAOYSA-N
XLogP5.71
TPSA62.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-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 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one?
The IUPAC name of 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one (CID 126500263) is 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one.
What is the SMILES notation for 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one?
The canonical SMILES for 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one is CC1(C)C(=O)C=CC2(C)C1=C(O)CC1(C)C2CCC2(C)C(c3ccoc3)CC3OC321.
What is the InChIKey of 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one?
The InChIKey is HKKBSVNUECNLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-22(2)19(28)7-9-23(3)18-6-10-24(4)16(15-8-11-29-14-15)12-20-26(24,30-20)25(18,5)13-17(27)21(22)23/h7-9,11,14,16,18,20,27H,6,10,12-13H2,1-5H3.
What are the key properties of 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one?
6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one has a molecular weight of 408.54 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-14-one is sourced from PubChem (CID 126500263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).