NP-MRD: Showing NP-Card for (1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate (NP0141444)

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Record Information

Version

2.0

Created at

2022-09-01 19:46:11 UTC

Updated at

2022-09-01 19:46:11 UTC

NP-MRD ID

NP0141444

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate

Description

Cornutin D belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. (1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate is found in Cornutia pyramidata. Based on a literature review very few articles have been published on Cornutin D.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₃₂O₇

Average Mass

408.4910 Da

Monoisotopic Mass

408.21480 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

MPQCIPBEPVDIRY-ATCBYQLMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cornutia pyramidata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Heteroaromatic compounds

Sub Class

Not Available

Direct Parent

Heteroaromatic compounds

Alternative Parents

Substituents

Heteroaromatic compound
Furan
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

C00036098

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

101263448

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate (NP0141444)

MOL for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

3D MOL for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

3D SDF for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

3D-SDF for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

PDB for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

3D PDB for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

SMILES for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

INCHI for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

Structure for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)

3D Structure for NP0141444 ((1r,2s,4r,4ar,5r,6r,8s,8as)-5-[(2s)-2-(furan-3-yl)-2-hydroxyethyl]-2,8-dihydroxy-5,6,8a-trimethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-4-yl acetate)