(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione

C26H32O5 — CID 102117202

IUPAC(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
SMILESCC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13
InChIInChI=1S/C26H32O5/c1-23(2)19-11-20(27)25(4)17-6-5-16(15-8-10-29-13-15)24(17,3)9-7-18(25)26(19)14-30-22(28)12-21(26)31-23/h6,8,10,13,16,18-19,21H,5,7,9,11-12,14H2,1-4H3/t16-,18-,19-,21-,24-,25-,26+/m0/s1
InChIKeyOXRFOFGXNAZNSV-PJHHLLCLSA-N
MW424.54 g/mol
LogP4.82
Rot. Bonds1

About (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione

(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione (PubChem CID 102117202) has the molecular formula C26H32O5 and a molecular weight of 424.54 g/mol. Its IUPAC name is (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione.

Molecular Properties

Compound Name(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
PubChem CID102117202
Molecular FormulaC26H32O5
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
SMILESCC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13
InChIInChI=1S/C26H32O5/c1-23(2)19-11-20(27)25(4)17-6-5-16(15-8-10-29-13-15)24(17,3)9-7-18(25)26(19)14-30-22(28)12-21(26)31-23/h6,8,10,13,16,18-19,21H,5,7,9,11-12,14H2,1-4H3/t16-,18-,19-,21-,24-,25-,26+/m0/s1
InChIKeyOXRFOFGXNAZNSV-PJHHLLCLSA-N
XLogP4.82
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2R,5S,6R,10R,13S,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
CID 162976565
6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
CID 3658985
(1R,2R,5S,6R,10S,13S,16R)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione
CID 162976564
(5R,8R,9R,10S,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
CID 10916190
(5S,9R,10S,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-6,9,11,12,16,17-hexahydro-5H-cyclopenta[a]phenanthrene-3,7-dione
CID 71421379
(1S,2R,10R,13R,14S,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
CID 162918700
(1S,2R,10R,13S,14R,16R,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
CID 162918691
(2R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
CID 10096259
(1R,2R,7S,10R,13R,14R,15S,18S,19S)-18-(furan-3-yl)-14-hydroxy-9,9,13,15,19-pentamethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicosane-5,12,16-trione
CID 153496777
6-(furan-3-yl)-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-8,12(19),16-triene-11,18-dione
CID 163039061
2-[(5S)-5-[(S)-furan-3-yl(hydroxy)methyl]-6-hydroxy-5,7,11,11-tetramethyl-8,15-dioxo-12,16-dioxatetracyclo[8.7.0.01,13.02,7]heptadecan-6-yl]acetic acid
CID 71171567
[(1R,2R,7S,10R,12R,13S,14R,16S,18S,19S)-18-(furan-3-yl)-9,9,13,19-tetramethyl-5,17-dioxo-4,8,15-trioxahexacyclo[11.8.0.02,7.02,10.014,16.014,19]henicosan-12-yl] acetate
CID 71501590

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione?
The IUPAC name of (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione (CID 102117202) is (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione.
What is the SMILES notation for (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione?
The canonical SMILES for (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione is CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@@]1(C)C2=CC[C@@H](c4ccoc4)[C@]2(C)CC[C@@H]13.
What is the InChIKey of (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione?
The InChIKey is OXRFOFGXNAZNSV-PJHHLLCLSA-N. The full InChI is InChI=1S/C26H32O5/c1-23(2)19-11-20(27)25(4)17-6-5-16(15-8-10-29-13-15)24(17,3)9-7-18(25)26(19)14-30-22(28)12-21(26)31-23/h6,8,10,13,16,18-19,21H,5,7,9,11-12,14H2,1-4H3/t16-,18-,19-,21-,24-,25-,26+/m0/s1.
What are the key properties of (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione?
(1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione has a molecular weight of 424.54 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6R,10R,13R,16S)-6-(furan-3-yl)-5,10,14,14-tetramethyl-15,19-dioxapentacyclo[11.7.0.01,16.02,10.05,9]icos-8-ene-11,18-dione is sourced from PubChem (CID 102117202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).