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

NP0332121

maritiamide A

Not Available

C₄₁H₆₁N₇O₇

763.9810 Da
763.46325 Da

¹H NMR Spectrum (1D, 900 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 226 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)

NP0332122

Maydistacin A

Not Available

C₂₅H₃₆O₄

400.5590 Da
400.26136 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400.132470967, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
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)
[¹H, ¹H] NMR Spectrum (2D, 400 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, 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0332123

5’-Methoxyarmillane

Not Available

C₂₄H₃₄O₇

434.5290 Da
434.23045 Da

¹H NMR Spectrum (1D, 700.284324229, C2D6OS, simulated)
[¹H, ¹H] 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)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)

NP0332124

Solalyratam A

Not Available

C₄₅H₇₀NO₁₉

929.0420 Da
928.45366 Da

¹H NMR Spectrum (1D, 500.133088302, C5D5deposition_typeN, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹³C] 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0332125

3β,16β-dihydroxy-5α-pregnane-20-carboxylic acid 16,22-lactone-3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-galactopyranoside

Not Available

C₄₀H₆₄O₁₈

832.9340 Da
832.40927 Da

¹H NMR Spectrum (1D, 600.203706235, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0332126

5,16-diene-pregn-3β-ol-20-one-3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-galactopyranoside

Not Available

C₃₉H₆₀O₁₇

800.8920 Da
800.38305 Da

¹H NMR Spectrum (1D, 600.203706235, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0332127

5α-pregn-3β-ol-20-one-3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-galactopyranoside

Not Available

C₃₉H₆₂O₁₇

802.9080 Da
802.39870 Da

¹H NMR Spectrum (1D, 500.133088302, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0332128

N6-succinoadenosine

Not Available

C₁₄H₁₇N₅O₈

383.3170 Da
383.10771 Da

¹H NMR Spectrum (1D, 600.17282104, 540 uL of phosphate buffer (203 mM Na2HPO4, 44 mM NaH2PO4 (pH 7.4), 1 mM TSP, 3 mM NaN3) and 60 uL o, simulated)
¹H NMR Spectrum (1D, 600.17282104, D₂O, simulated)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 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)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)

NP0332129

3β,11α,12,21β-tetrahydroxy-22-oxours-12-en-24-oic acid methyl ester

Not Available

C₃₁H₄₈O₇

532.7180 Da
532.34000 Da

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

NP0332130

7-formyl-151-hydroxypurpurin-7-lactone ethyl methyl diester

Not Available

C₃₇H₃₈N₄O₈

666.7310 Da
666.26896 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332131

7-formyl-132-hydroxypheophorbide-a ethyl ester

Not Available

C₃₇H₃₈N₄O₇

650.7320 Da
650.27405 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332132

21β-benzoyloxy-22α-angeloylolean-12-ene-3β,16α,28-triol

Not Available

C₄₂H₆₀O₇

676.9350 Da
676.43390 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332133

11α-methoxy-3β,12,21β,22β-tetrahydroxyurs-12-en-24-oic acid methyl ester

Not Available

C₃₂H₅₂O₇

548.7610 Da
548.37130 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332134

133-ethoxypheophorbide-a ethyl ester

Not Available

C₃₈H₄₂N₄O₆

650.7760 Da
650.31044 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332135

132(R)-hydroxypheophorbide-a ethyl ester

Not Available

C₃₇H₄₀N₄O₆

636.7490 Da
636.29479 Da

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

NP0332136

11α-methoxy-3β,12-dihydroxyurs-12-en-23-oic acid methyl ester

Not Available

C₃₂H₅₂O₅

516.7630 Da
516.38147 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0332137

21β,22α-dibenzoyloxyolean-12-ene-3β,16α,28-triol

Not Available

C₄₄H₅₈O₇

698.9410 Da
698.41825 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 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, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332138

11α-methoxy-3β,12,21β-trihydroxy-22-oxours-12-en-24-oic acid methyl ester

Not Available

C₃₂H₅₀O₇

546.7450 Da
546.35565 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 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)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0332144

(aR,7S)- and (aS,7S)-7-dehydroxy-di-O-10-methyl-13-acetylprotosappanin B

Not Available

C₃₈H₄₀O₁₂

688.7260 Da
688.25198 Da

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

NP0332145

(S,Z)-6-Ethoxy-2-ethylidene-4-hydroxyadipic acid

Not Available

C₁₀H₁₆O₅

216.2330 Da
216.09977 Da

¹H NMR Spectrum (1D, 600 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)

NP0332146

(aR,7R)- and (aS,7R)-7-dehydroxy-10,11-di-O-methylprotosappanin B

Not Available

C₃₆H₄₀O₁₀

632.7060 Da
632.26215 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332147

9-O-Ethylmimosoidsone A

Not Available

C₁₉H₁₈O₅

326.3480 Da
326.11542 Da

¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332148

(aR,7S)- and (aS,7S)-7-dehydroxy-13-O-acetylprotosappanin B

Not Available

C₃₆H₃₆O₁₂

660.6720 Da
660.22068 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332149

(1R,2S,5R,10S)-8,9,11,14-Didehydrovouacapen-1,2,5-triol

Not Available

C₂₀H₂₆O₄

330.4240 Da
330.18311 Da

¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332150

(E)-4-ethoxy-2-ethylidenesuccinic acid

Not Available

C₈H₁₂O₄

172.1800 Da
172.07356 Da

¹H NMR Spectrum (1D, 600 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)

Browsing natural products

Filter by kingdom:

Filter by solvent:

Filter by spectral type:

Filter by nucleus:

Filter by spectra quality:

Filter by assignment quality: