(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione

C32H40O4 — CID 10576971

IUPAC(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione
SMILESO=C1O[C@@H]2CC[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H]4[C@@H]4[C@@H]6C[C@H]([C@@H]45)[C@H]4[C@@H]6CC[C@H]4OC(=O)C45CC6CC(CC1(C6)C4)C5)[C@@H]32
InChIInChI=1S/C32H40O4/c33-29-31-8-13-5-14(9-31)11-32(10-13,12-31)30(34)36-22-4-2-16-18-7-20(24(16)22)28-26(18)25-17-6-19(27(25)28)23-15(17)1-3-21(23)35-29/h13-28H,1-12H2/t13?,14?,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,31?,32?/m1/s1
InChIKeyPHLDBQMTUHVNMU-KSADABNXSA-N
MW488.67 g/mol
LogP5.24
Rot. Bonds

About (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione

(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione (PubChem CID 10576971) has the molecular formula C32H40O4 and a molecular weight of 488.67 g/mol. Its IUPAC name is (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione.

Molecular Properties

Compound Name(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione
PubChem CID10576971
Molecular FormulaC32H40O4
Molecular Weight488.67 g/mol
Exact Mass488.29
IUPAC Name(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione
SMILESO=C1O[C@@H]2CC[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H]4[C@@H]4[C@@H]6C[C@H]([C@@H]45)[C@H]4[C@@H]6CC[C@H]4OC(=O)C45CC6CC(CC1(C6)C4)C5)[C@@H]32
InChIInChI=1S/C32H40O4/c33-29-31-8-13-5-14(9-31)11-32(10-13,12-31)30(34)36-22-4-2-16-18-7-20(24(16)22)28-26(18)25-17-6-19(27(25)28)23-15(17)1-3-21(23)35-29/h13-28H,1-12H2/t13?,14?,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,31?,32?/m1/s1
InChIKeyPHLDBQMTUHVNMU-KSADABNXSA-N
XLogP5.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione?
The IUPAC name of (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione (CID 10576971) is (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione.
What is the SMILES notation for (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione?
The canonical SMILES for (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione is O=C1O[C@@H]2CC[C@@H]3[C@H]4C[C@H]([C@H]5[C@@H]4[C@@H]4[C@@H]6C[C@H]([C@@H]45)[C@H]4[C@@H]6CC[C@H]4OC(=O)C45CC6CC(CC1(C6)C4)C5)[C@@H]32.
What is the InChIKey of (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione?
The InChIKey is PHLDBQMTUHVNMU-KSADABNXSA-N. The full InChI is InChI=1S/C32H40O4/c33-29-31-8-13-5-14(9-31)11-32(10-13,12-31)30(34)36-22-4-2-16-18-7-20(24(16)22)28-26(18)25-17-6-19(27(25)28)23-15(17)1-3-21(23)35-29/h13-28H,1-12H2/t13?,14?,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,31?,32?/m1/s1.
What are the key properties of (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione?
(4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione has a molecular weight of 488.67 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R,8R,9R,11R,12S,13S,14S,15S,16R,18R,19R,20R,23R)-3,24-dioxaundecacyclo[24.5.1.11,28.126,30.04,8.07,11.09,13.012,15.014,18.016,20.019,23]tetratriacontane-2,25-dione is sourced from PubChem (CID 10576971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).