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

NP0331677

3,6-dihydroxyolean-12-en-27-oic acid

Not Available

C₃₀H₄₈O₄

472.7100 Da
472.35526 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0331678

Astilbotriterpenic acid

Not Available

C₃₀H₄₈O₄

472.7100 Da
472.35526 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)

NP0331679

3-bromodeoxyamphimedine

Not Available

C₁₉H₁₁BrN₃O

377.2200 Da
376.00800 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
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 NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331680

2-bromodeoxyamphimedine

Not Available

C₁₉H₁₁BrN₃O

377.2200 Da
376.00800 Da

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

NP0331681

Salicyclic Acid

Not Available

C₇H₆O₃

144.0760 Da
144.05182 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331682

2-Methyl-1,4-Naphthoquinone

Not Available

C₁₁H₈O₂

172.1800 Da
172.05243 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331683

2,6 Dihydroxyacetophenone

Not Available

C₈H₈O₃

152.1473 Da
152.04734 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331684

5,7-Dihydroxy-4-Methylisoflavone

Not Available

C₁₆H₁₂O₅

284.2670 Da
284.06847 Da

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

NP0331685

4-(methoxymethyl) phenyl-1-O-β-d-glucopyranoside

Not Available

C₁₄H₂₀O₇

300.3070 Da
300.12090 Da

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

NP0331686

4-(β-d-glucopyranosyloxy) benzaldehyde

Not Available

C₁₃H₁₆O₇

284.2640 Da
284.08960 Da

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

NP0331687

Benzyl-O-α-l-rhamnopyranosyl-(1→6)-β-d-glucopyranoside

Not Available

C₁₉H₂₈O₁₀

416.4230 Da
416.16825 Da

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

NP0331688

1-O-β-d-glucopyranosyl benzoate

Not Available

C₁₃H₁₆O₇

284.2640 Da
284.08960 Da

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

NP0331689

Illiciumphenolicacid B

Not Available

C₂₀H₂₈O₁₂

460.4320 Da
460.15808 Da

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

NP0331690

2-O-β-d-glucosyloxy-4-methoxybenzenepropanoic acid

Not Available

C₁₆H₂₂O₉

358.3430 Da
358.12638 Da

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

NP0331691

4-O-β-d-glucopyranosyloxy-benzoic acid methyl ester

Not Available

C₁₄H₁₈O₈

314.2900 Da
314.10017 Da

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

NP0331692

Illiciumphenolicacid A

Not Available

C₂₅H₃₄O₁₃

542.5340 Da
542.19994 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)

NP0331693

O-Coumaric

Not Available

C₉H₈O₃

164.1580 Da
164.04734 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331694

Cyanogripeptide B

Not Available

C₄₀H₆₅N₉O₈

800.0150 Da
799.49561 Da

¹H NMR Spectrum (1D, 600.133705802, C2D6OS, simulated)
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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0331695

Cyanogripeptide A

Not Available

C₃₈H₆₉N₉O₈

780.0250 Da
779.52691 Da

¹H NMR Spectrum (1D, 600.133705802, C2D6OS, simulated)
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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0331696

Cyanogripeptide C

Not Available

C₄₀H₇₃N₉O₈

808.0790 Da
807.55821 Da

¹H NMR Spectrum (1D, 600.13, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 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)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)

NP0331697

2,4-Dimehoxybenzaldehyde

Not Available

C₉H₁₀O₃

166.1760 Da
166.06299 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331698

2,5 Dihydroxyacetophenone

Not Available

C₈H₈O₃

152.1473 Da
152.04734 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331700

p-Nitrophenol

Not Available

C₆H₅NO₃

139.1088 Da
139.02694 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0331701

2-O-sinapoyl makisterone A

Not Available

C₃₉H₅₆O₁₁

700.8660 Da
700.38226 Da

¹H NMR Spectrum (1D, 800.15405836, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 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)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)

NP0331702

3-O-sinapoyl makisterone A

Not Available

C₃₉H₅₆O₁₁

700.8660 Da
700.38226 Da

¹H NMR Spectrum (1D, 800.15405836, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 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)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)

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