NP-MRD: Showing NP-Card for 2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one (NP0331130)

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Record Information

Version

2.0

Created at

2022-11-16 21:39:33 UTC

Updated at

2026-02-17 11:07:46 UTC

NP-MRD ID

NP0331130

Natural Product DOI

https://doi.org/10.57994/0297

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one

Description

2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one was first documented in 2022 (PMID: 35142496). Based on a literature review very few articles have been published on 15b-beta-methoxy-5-N-acetylardeemin.

Structure

MOL SDF PDB SMILES InChI

View in JSmol

Synonyms

Value	Source
15b-b-Methoxy-5-N-acetylardeemin	Generator
15b-Β-methoxy-5-N-acetylardeemin	Generator

Chemical Formula

C₁₅H₂₄O₄

Average Mass

268.3530 Da

Monoisotopic Mass

268.16746 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H24O4/c1-9-6-12(17)13(18)10(2)15(9)5-4-11(7-15)14(3,19)8-16/h6,10-11,13,16,18-19H,4-5,7-8H2,1-3H3/t10-,11+,13-,14+,15+/m0/s1

InChI Key

DQOOWVDEQWNBKX-WPTOEGHWSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	[email protected]	Not Available	Not Available	2022-12-23	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Methanol-d4, simulated)	[email protected]	Not Available	Not Available	2026-02-17	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Calothrix sp. R-3-1		Not Available

Chemical Taxonomy

Classification

Not classified

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

34981426

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139584831

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one (NP0331130)

MOL for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

3D MOL for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

3D SDF for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

3D-SDF for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

PDB for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

3D PDB for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

SMILES for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

INCHI for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

Structure for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)

3D Structure for NP0331130 (2-(1′,2′-Dihydroxy-1′-methylethyl)-6,10-dimethyl-9-hydroxyspiro-[4,5]-dec-6-en-8-one)