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

NP0333151

Raufiayunesin A

Not Available

C₂₁H₂₄N₂O₄

368.4330 Da
368.17361 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0333152

Raufiayunesin B

Not Available

C₂₀H₂₂N₂O₄

354.4060 Da
354.15796 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)

NP0333153

Raufiayunesin C

Not Available

C₂₂H₂₈N₂O₅

400.4750 Da
400.19982 Da

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

NP0333157

7-Butyl-6,8-dihydroxy-3(R)-pent-9,11-dienylisochroman-1-one

Not Available

C₁₈H₂₂O₄

302.3700 Da
302.15181 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)

NP0333158

Persicamidine C

Not Available

C₄₇H₇₄N₂O₁₀

827.1130 Da
826.53435 Da

¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0333159

Persicamidine E

Not Available

C₄₄H₆₈N₂O₁₀

785.0320 Da
784.48740 Da

¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0333160

Cannabifolin G

Not Available

C₂₅H₂₈O₁₀

488.4890 Da
488.16825 Da

¹H NMR Spectrum (1D, simulated)
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 NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0333161

Cannabifolin H

Not Available

C₂₃H₂₆O₁₀

462.4510 Da
462.15260 Da

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

NP0333162

Cannabifolin I

Not Available

C₂₁H₂₂O₁₁

450.3960 Da
450.11621 Da

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

NP0333163

Cannabifolin J

Not Available

C₂₃H₂₈O₁₀

464.4670 Da
464.16825 Da

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

NP0333164

1,2-di-(4-hydroxybenzoyl)-β-glucopyranose

Not Available

C₂₃H₂₉O₁₀

465.4750 Da
465.17607 Da

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

NP0333166

1,6-di-O-p-hydroxybenzoyl-β-D-glucopyranoside

Not Available

C₂₃H₂₉O₁₀

465.4750 Da
465.17607 Da

¹H NMR Spectrum (1D, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)

NP0333167

3α,6β-ditigloyloxytropan-7β-ol

Not Available

C₁₈H₂₇NO₅

337.4160 Da
337.18892 Da

¹H NMR Spectrum (1D, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)

NP0333169

1-(7-Methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobut-2-en-2-yl (S)-2-methylbutanoate

Not Available

C₂₀H₂₂O₆

358.3900 Da
358.14164 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0333170

Murragatin

Not Available

C₁₅H₁₆O₅

276.2880 Da
276.09977 Da

¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0333171

Minutuminolate

Not Available

C₂₀H₂₂O₆

358.3900 Da
358.14164 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)

NP0333173

Phyllolactone A

Not Available

C₃₁H₄₈O₅

500.7200 Da
500.35017 Da

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

NP0333174

Phyllolactone B

Not Available

C₃₀H₄₆O₅

486.6930 Da
486.33452 Da

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

NP0333175

Phyllolactone C

Not Available

C₂₉H₄₄O₅

472.6660 Da
472.31887 Da

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

NP0333176

Phyllolactone D

Not Available

C₃₂H₄₈O₆

528.7300 Da
528.34509 Da

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

NP0333177

Clavilactone J

Not Available

C₁₆H₁₆O₆

304.2980 Da
304.09469 Da

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

NP0333178

Clavilactone K

Not Available

C₂₀H₂₃NO₆

373.4050 Da
373.15254 Da

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

NP0333179

Clavipol C

Not Available

C₁₇H₂₄O₅

308.3740 Da
308.16237 Da

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