[(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] acetate

C22H34O7 — CID 44584529

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] acetate
SMILESCC(=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/C22H34O7/c1-11-13-6-8-21(4,28-12(2)23)17-14-10-20(3,26)15(24)7-9-22(5,29-19(11)25)18(27-14)16(13)17/h11,13-18,24,26H,6-10H2,1-5H3/t11-,13?,14?,15-,16+,17+,18?,20-,21-,22+/m1/s1
InChIKeyMATSVTSXOGSXAL-HROSIJFQSA-N
MW410.51 g/mol
LogP1.97
Rot. Bonds1

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] acetate

[(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] acetate (PubChem CID 44584529) has the molecular formula C22H34O7 and a molecular weight of 410.51 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] acetate.

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] acetate
PubChem CID44584529
Molecular FormulaC22H34O7
Molecular Weight410.51 g/mol
Exact Mass410.23
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] acetate
SMILESCC(=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/C22H34O7/c1-11-13-6-8-21(4,28-12(2)23)17-14-10-20(3,26)15(24)7-9-22(5,29-19(11)25)18(27-14)16(13)17/h11,13-18,24,26H,6-10H2,1-5H3/t11-,13?,14?,15-,16+,17+,18?,20-,21-,22+/m1/s1
InChIKeyMATSVTSXOGSXAL-HROSIJFQSA-N
XLogP1.97
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.97
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] acetate 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] acetate?
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] acetate (CID 44584529) 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] acetate.
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] acetate?
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] acetate is CC(=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] acetate?
The InChIKey is MATSVTSXOGSXAL-HROSIJFQSA-N. The full InChI is InChI=1S/C22H34O7/c1-11-13-6-8-21(4,28-12(2)23)17-14-10-20(3,26)15(24)7-9-22(5,29-19(11)25)18(27-14)16(13)17/h11,13-18,24,26H,6-10H2,1-5H3/t11-,13?,14?,15-,16+,17+,18?,20-,21-,22+/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] acetate?
[(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] acetate has a molecular weight of 410.51 g/mol, XLogP of 1.97, 1 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] acetate is sourced from PubChem (CID 44584529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).