NP-MRD: Showing NP-Card for (1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione (NP0311669)

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Record Information

Version

2.0

Created at

2022-09-11 07:48:59 UTC

Updated at

2022-09-11 07:48:59 UTC

NP-MRD ID

NP0311669

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione

Description

(1S,2S,5R,6R,8R,11R,12R)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecane-7,17-dione belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on (1S,2S,5R,6R,8R,11R,12R)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]Octadecane-7,17-dione.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₅

Average Mass

348.4390 Da

Monoisotopic Mass

348.19367 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

ROHGZJRPRRSYLD-ZBCWEOQNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthofurans

Sub Class

Not Available

Direct Parent

Naphthofurans

Alternative Parents

Substituents

Naphthofuran
Caprolactone
Oxepane
Acyloin
Gamma butyrolactone
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
1,2-diol
Carboxylic acid ester
Lactone
Ketone
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxygen compound
Organooxygen compound
Primary alcohol
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Not Available

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163072790

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione (NP0311669)

MOL for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

3D MOL for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

3D SDF for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

3D-SDF for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

PDB for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

3D PDB for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

SMILES for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

INCHI for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

Structure for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)

3D Structure for NP0311669 ((1s,2s,5r,6r,8r,11r,12r)-6-hydroxy-6-(hydroxymethyl)-2,12-dimethyl-16-oxapentacyclo[10.3.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,17-dione)