7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione

C26H30O10 — CID 163032412

IUPAC7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione
SMILESCOC1(O)C(=O)C2(O)C(C)(C)OC(=O)C=CC2(C)C2CCC3C(c4ccoc4)OC(=O)C4OC43C21C
InChIInChI=1S/C26H30O10/c1-21(2)25(30)20(29)26(31,32-5)23(4)15(22(25,3)10-8-16(27)35-21)7-6-14-17(13-9-11-33-12-13)34-19(28)18-24(14,23)36-18/h8-12,14-15,17-18,30-31H,6-7H2,1-5H3
InChIKeyZVZXGNVPVIFMST-UHFFFAOYSA-N
MW502.52 g/mol
LogP1.59
Rot. Bonds2

About 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione

7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione (PubChem CID 163032412) has the molecular formula C26H30O10 and a molecular weight of 502.52 g/mol. Its IUPAC name is 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione.

Molecular Properties

Compound Name7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione
PubChem CID163032412
Molecular FormulaC26H30O10
Molecular Weight502.52 g/mol
Exact Mass502.18
IUPAC Name7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione
SMILESCOC1(O)C(=O)C2(O)C(C)(C)OC(=O)C=CC2(C)C2CCC3C(c4ccoc4)OC(=O)C4OC43C21C
InChIInChI=1S/C26H30O10/c1-21(2)25(30)20(29)26(31,32-5)23(4)15(22(25,3)10-8-16(27)35-21)7-6-14-17(13-9-11-33-12-13)34-19(28)18-24(14,23)36-18/h8-12,14-15,17-18,30-31H,6-7H2,1-5H3
InChIKeyZVZXGNVPVIFMST-UHFFFAOYSA-N
XLogP1.59
TPSA145.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione?
The IUPAC name of 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione (CID 163032412) is 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione.
What is the SMILES notation for 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione?
The canonical SMILES for 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione is COC1(O)C(=O)C2(O)C(C)(C)OC(=O)C=CC2(C)C2CCC3C(c4ccoc4)OC(=O)C4OC43C21C.
What is the InChIKey of 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione?
The InChIKey is ZVZXGNVPVIFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O10/c1-21(2)25(30)20(29)26(31,32-5)23(4)15(22(25,3)10-8-16(27)35-21)7-6-14-17(13-9-11-33-12-13)34-19(28)18-24(14,23)36-18/h8-12,14-15,17-18,30-31H,6-7H2,1-5H3.
What are the key properties of 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione?
7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione has a molecular weight of 502.52 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-yl)-18,20-dihydroxy-20-methoxy-1,12,17,17-tetramethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,19-trione is sourced from PubChem (CID 163032412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).