[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate

C17H26O5 — CID 163019049

IUPAC[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3C
InChIInChI=1S/C17H26O5/c1-8-5-12-11(9(2)16(20)22-12)7-17(4)14(19)6-13(15(8)17)21-10(3)18/h8-9,11-15,19H,5-7H2,1-4H3/t8-,9-,11-,12-,13+,14-,15-,17-/m1/s1
InChIKeyVBOIEJXYHWUAHA-LWARHHFCSA-N
MW310.39 g/mol
LogP1.91
Rot. Bonds1

About [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate

[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate (PubChem CID 163019049) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate.

Molecular Properties

Compound Name[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate
PubChem CID163019049
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3C
InChIInChI=1S/C17H26O5/c1-8-5-12-11(9(2)16(20)22-12)7-17(4)14(19)6-13(15(8)17)21-10(3)18/h8-9,11-15,19H,5-7H2,1-4H3/t8-,9-,11-,12-,13+,14-,15-,17-/m1/s1
InChIKeyVBOIEJXYHWUAHA-LWARHHFCSA-N
XLogP1.91
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate?
The IUPAC name of [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate (CID 163019049) is [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate.
What is the SMILES notation for [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate?
The canonical SMILES for [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate is CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)C[C@H]3[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@H]3C.
What is the InChIKey of [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate?
The InChIKey is VBOIEJXYHWUAHA-LWARHHFCSA-N. The full InChI is InChI=1S/C17H26O5/c1-8-5-12-11(9(2)16(20)22-12)7-17(4)14(19)6-13(15(8)17)21-10(3)18/h8-9,11-15,19H,5-7H2,1-4H3/t8-,9-,11-,12-,13+,14-,15-,17-/m1/s1.
What are the key properties of [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate?
[(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate has a molecular weight of 310.39 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,5R,5aS,6S,8R,8aS,9aR)-8-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate is sourced from PubChem (CID 163019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).