NP-MRD: Browsing natural products

NP-MRD ID
CAS Number Compound Name Species of Origin Chemical Structure Chemical Formula
Average Mass
Monoisotopic Mass NMR Spectra

NP0333403

Brevianamide-E1

Not Available

C₂₁H₂₅N₃O₄

383.4480 Da
383.18451 Da

¹H NMR Spectrum (1D, 600.314502325, C3D6O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0333404

Brevianamide-E2

Not Available

C₂₁H₂₅N₃O₄

383.4480 Da
383.18451 Da

¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C3D6O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0333405

Brevianamide-E-S-6

Not Available

C₂₂H₂₇N₃O₄

397.4750 Da
397.20016 Da

¹H NMR Spectrum (1D, 600.314502325, C3D6O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0333406

Brevianamide-E-S-7

Not Available

C₂₃H₂₉N₃O₅

427.5010 Da
427.21072 Da

¹H NMR Spectrum (1D, 600.314502325, C3D6O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0333407

Brevianamide-E-S-8

Not Available

C₂₃H₂₉N₃O₅

427.5010 Da
427.21072 Da

¹H NMR Spectrum (1D, 600.314502325, C3D6O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0333411

Lilial

Not Available

C₁₄H₂₀O

204.3130 Da
204.15142 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333413

Methyl 3-aminopyrazine-2-carboxylate

Not Available

C₆H₇N₃O₂

153.1410 Da
153.05383 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333414

Methyl 4-tert-butylphenylacetate

Not Available

C₁₃H₁₈O₂

206.2808 Da
206.13068 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333415

Menthyl lactate

Not Available

C₁₃H₂₄O₃

228.3279 Da
228.17254 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333418

Thielavin Q

Not Available

C₂₆H₂₆O₈

466.4860 Da
466.16277 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)

NP0333419

Thielavin R

Not Available

C₂₇H₂₈O₈

480.5130 Da
480.17842 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0333421

3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-8,9-dihydro-4H-phenaleno[1,2-b]furan-4,6(5H)-dione

Not Available

C₂₂H₂₂O₇

398.4110 Da
398.13655 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0333422

2',4'-dimethylacetophenone

Not Available

C₁₀H₁₂O

148.2017 Da
148.08882 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333423

4'-isopropylacetophenone

Not Available

C₁₁H₁₄O

162.2283 Da
162.10447 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333424

3-(2-furyl) acrolein

Not Available

C₇H₆O₂

122.1230 Da
122.03678 Da

¹H NMR Spectrum (1D, 800, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0333425

3-(2-furyl) propanoic acid

Not Available

C₇H₈O₃

140.1380 Da
140.04734 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333426

3-(Dimethylamino)propanoic acid

Not Available

C₅H₁₁NO₂

117.1480 Da
117.07898 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333428

4-hydroxychalcone

Not Available

C₁₅H₁₂O₂

224.2590 Da
224.08373 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333429

p-Methylhippuric acid

Not Available

C₁₀H₁₁NO₃

193.1992 Da
193.07389 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333430

Methyl Nonadecanoate

Not Available

C₂₀H₄₀O₂

312.5304 Da
312.30283 Da

¹H NMR Spectrum (1D, 600, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0333431

N-Acetylisoleucine

Not Available

C₈H₁₅NO₃

173.2120 Da
173.10519 Da

¹H NMR Spectrum (1D, 600, D₂O, simulated)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 201 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)

NP0333436

Desmondiin A

Not Available

C₃₀H₄₈O₄

472.7100 Da
472.35526 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0333437

Desmondiin B

Not Available

C₃₁H₅₀O₃

470.7380 Da
470.37600 Da

[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0333438

Desmondiin C

Not Available

C₃₀H₄₈O₃

456.7110 Da
456.36035 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0333439

Desmondiin D

Not Available

C₂₉H₄₆O₃

442.6840 Da
442.34470 Da

[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

Browsing natural products

Filter by kingdom:

Filter by solvent:

Filter by spectral type:

Filter by nucleus:

Filter by spectra quality:

Filter by assignment quality: