[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

C19H26O8 — CID 163000039

IUPAC[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate
SMILESCOCC1=C2/C(=C\[C@]3(C)CC[C@@](OC)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O
InChIInChI=1S/C19H26O8/c1-11(20)25-14-9-18(3,22)19(24-5)7-6-17(2,27-19)8-13-15(14)12(10-23-4)16(21)26-13/h8,14,22H,6-7,9-10H2,1-5H3/b13-8+/t14-,17-,18+,19+/m0/s1
InChIKeySFNLXNCRZKRCJC-DTDVGYQLSA-N
MW382.41 g/mol
LogP1.37
Rot. Bonds4

About [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate (PubChem CID 163000039) has the molecular formula C19H26O8 and a molecular weight of 382.41 g/mol. Its IUPAC name is [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate.

Molecular Properties

Compound Name[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate
PubChem CID163000039
Molecular FormulaC19H26O8
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate
SMILESCOCC1=C2/C(=C\[C@]3(C)CC[C@@](OC)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O
InChIInChI=1S/C19H26O8/c1-11(20)25-14-9-18(3,22)19(24-5)7-6-17(2,27-19)8-13-15(14)12(10-23-4)16(21)26-13/h8,14,22H,6-7,9-10H2,1-5H3/b13-8+/t14-,17-,18+,19+/m0/s1
InChIKeySFNLXNCRZKRCJC-DTDVGYQLSA-N
XLogP1.37
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-(hydroxymethyl)prop-2-enoate
CID 162989038
[(1S,2E,8R,10R,11R)-6-(acetyloxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate
CID 163020865
[(1S,2E,8R,10S,11S)-8-acetyloxy-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
CID 162903398
[(1S,8S,10R,11R)-8,10-diacetyloxy-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
CID 163044263
[(1S,2E,8S,10R,11R)-8,10-diacetyloxy-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate
CID 163044262
[(1S,2E,8R,10R,11S)-6-(ethoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
CID 162895191
[(1S,2E,8S,10R,11R)-10,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate
CID 131884803
[6-(acetyloxymethyl)-10-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylbut-2-enoate
CID 162895470
[(1S,2E,8S,10R,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-(hydroxymethyl)prop-2-enoate
CID 162903676
[(1R,8S,10R,11S)-11-hydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylbut-2-enoate
CID 162865584
[(4R,6Z,8R,10S)-8-acetyloxy-10-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 162859491
[(4S,6E,8R,10S)-8-acetyloxy-10-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-4,5,8,9-tetrahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 162859492

Frequently Asked Questions

What is the IUPAC name of [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate?
The IUPAC name of [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate (CID 163000039) is [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate.
What is the SMILES notation for [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate?
The canonical SMILES for [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate is COCC1=C2/C(=C\[C@]3(C)CC[C@@](OC)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O.
What is the InChIKey of [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate?
The InChIKey is SFNLXNCRZKRCJC-DTDVGYQLSA-N. The full InChI is InChI=1S/C19H26O8/c1-11(20)25-14-9-18(3,22)19(24-5)7-6-17(2,27-19)8-13-15(14)12(10-23-4)16(21)26-13/h8,14,22H,6-7,9-10H2,1-5H3/b13-8+/t14-,17-,18+,19+/m0/s1.
What are the key properties of [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate?
[(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate has a molecular weight of 382.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2E,8S,10R,11R)-10-hydroxy-11-methoxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate is sourced from PubChem (CID 163000039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).