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

NP0332371

(E)-3-((2S,3R,6S)-3-hydroxy-3,5,6-trimethyl-3,6-dihydro-2H-pyran-2-yl)but-2-enal

Not Available

C₁₂H₁₈O₃

210.2730 Da
210.12559 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0332372

Paraphaeolactone A2

Not Available

C₁₀H₁₂O₄

196.2020 Da
196.07356 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332373

Paraphaeolactone A1

Not Available

C₁₀H₁₂O₄

196.2020 Da
196.07356 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332374

phellinhart C

Not Available

C₁₅H₂₂O₃

250.3380 Da
250.15689 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0332375

phellinhart B

Not Available

C₁₄H₂₀O₃

236.3110 Da
236.14124 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹H] 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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0332376

phellinhart A

Not Available

C₁₅H₂₂O₄

266.3370 Da
266.15181 Da

[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0332377

4F-Bacillamide A

Not Available

C₁₆H₁₄FN₃O₂S

331.3700 Da
331.07908 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332378

N-acetyltryptamine

Not Available

C₁₂H₁₄N₂O

202.2570 Da
202.11061 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332379

6F-Bacillamide C

Not Available

C₁₈H₁₉FN₄O₂S

374.4300 Da
374.12128 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332380

6F-N-acetyltryptamine

Not Available

C₁₂H₁₃FN₂O

220.2470 Da
220.10119 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332381

6F-Bacillamide A

Not Available

C₁₆H₁₄FN₃O₂S

331.3700 Da
331.07908 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332382

Bacillamide A

Not Available

C₁₆H₁₅N₃O₂S

313.3800 Da
313.08850 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332383

4F-Bacillamide C

Not Available

C₁₈H₁₉FN₄O₂S

374.4300 Da
374.12128 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332384

5F-Bacillamide C

Not Available

C₁₈H₁₉FN₄O₂S

374.4300 Da
374.12128 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332385

Iturin A6

Not Available

C₅₀H₇₈N₁₂O₁₄

1071.2440 Da
1070.57605 Da

Not Available

NP0332386

5F-Bacillamide A

Not Available

C₁₆H₁₄FN₃O₂S

331.3700 Da
331.07908 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)

NP0332387

Iturin A8

Not Available

C₅₁H₈₀N₁₂O₁₄

1085.2710 Da
1084.59170 Da

Not Available

NP0332388

4F-N-acetyltryptamine

Not Available

C₁₂H₁₃FN₂O

220.2470 Da
220.10119 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332389

5F-N-acetyltryptamine

Not Available

C₁₂H₁₃FN₂O

220.2470 Da
220.10119 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0332390

Iturin A2

Not Available

C₄₈H₇₄N₁₂O₁₄

1043.1900 Da
1042.54475 Da

Not Available

NP0332391

7F-N-acetyltryptamine

Not Available

C₁₂H₁₃FN₂O

220.2470 Da
220.10119 Da

¹⁹F NMR Spectrum (1D, 376 MHz, C2D6OS, experimental)

NP0332392

14,16-epiascomylactam B

Not Available

C₃₄H₄₁NO₄

527.7050 Da
527.30356 Da

¹H NMR Spectrum (1D, 500.179900881, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0332393

pyrenochone E

Not Available

C₃₄H₄₅NO₅

547.7360 Da
547.32977 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

NP0332394

2,3-epoxyphomapyrrolidone C

Not Available

C₃₄H₄₁NO₆

559.7030 Da
559.29339 Da

¹H NMR Spectrum (1D, 500.18, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0332395

pyrenochone B

Not Available

C₃₄H₄₁NO₅

543.7040 Da
543.29847 Da

¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

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