[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate

C24H38O7 — CID 44584531

IUPAC[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate
SMILESCCCC(=O)O[C@]1(C)CCC2[C@@H]3C4OC(C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31
InChIInChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14?,15?,16-,18+,19+,20?,22-,23-,24+/m1/s1
InChIKeyUPNPHDYOBCYLCB-FNUSVETASA-N
MW438.56 g/mol
LogP2.75
Rot. Bonds3

About [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate

[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate (PubChem CID 44584531) has the molecular formula C24H38O7 and a molecular weight of 438.56 g/mol. Its IUPAC name is [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate.

Molecular Properties

Compound Name[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate
PubChem CID44584531
Molecular FormulaC24H38O7
Molecular Weight438.56 g/mol
Exact Mass438.26
IUPAC Name[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate
SMILESCCCC(=O)O[C@]1(C)CCC2[C@@H]3C4OC(C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31
InChIInChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14?,15?,16-,18+,19+,20?,22-,23-,24+/m1/s1
InChIKeyUPNPHDYOBCYLCB-FNUSVETASA-N
XLogP2.75
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate?
The IUPAC name of [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate (CID 44584531) is [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate.
What is the SMILES notation for [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate?
The canonical SMILES for [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate is CCCC(=O)O[C@]1(C)CCC2[C@@H]3C4OC(C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31.
What is the InChIKey of [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate?
The InChIKey is UPNPHDYOBCYLCB-FNUSVETASA-N. The full InChI is InChI=1S/C24H38O7/c1-6-7-17(26)30-23(4)10-8-14-13(2)21(27)31-24(5)11-9-16(25)22(3,28)12-15-19(23)18(14)20(24)29-15/h13-16,18-20,25,28H,6-12H2,1-5H3/t13-,14?,15?,16-,18+,19+,20?,22-,23-,24+/m1/s1.
What are the key properties of [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate?
[(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate has a molecular weight of 438.56 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,8R,11S,14R,15R)-14,15-dihydroxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate is sourced from PubChem (CID 44584531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).