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

NP0331638

Metaplexigenin 3-O-α-L-diginopyranosyl-(1→4)-β-D-cymaropyranoside

Not Available

C₃₇H₅₈O₁₃

710.8580 Da
710.38774 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)

NP0331639

Punctaporonin T

Not Available

C₁₉H₂₆O₆

350.4110 Da
350.17294 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331640

Punctaporonin U

Not Available

C₁₅H₁₉O₃

247.3140 Da
247.13342 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)

NP0331641

Tolypocaibol B

Not Available

C₆₇H₁₁₂N₁₄O₁₅

1353.7160 Da
1352.84316 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)

NP0331642

Tolypocaibol A

Not Available

C₆₆H₁₁₀N₁₄O₁₅

1339.6890 Da
1338.82751 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331643

(−)-Cryptanoside A

Not Available

C₃₀H₄₂O₁₀

562.6560 Da
562.27780 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)

NP0331670

Loliolide C-3 Anomer

Not Available

C₁₁H₁₆O₃

196.2460 Da
196.10994 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331671

Tropine

Not Available

C₈H₁₅NO

141.2108 Da
141.11536 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 701 MHz, D2O, experimental)

NP0331672

(−)-2-Oxy-10α-hydroxysophoridine

Not Available

C₁₅H₂₂N₂O₃

278.3520 Da
278.16304 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331673

3-hydroxyolean-12-en-27-oic acid

Not Available

C₃₀H₄₈O₃

456.7110 Da
456.36035 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331675

3-hydroxyurs-12-en-27-oic acid

Not Available

C₃₀H₄₈O₃

456.7110 Da
456.36035 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331679

3-bromodeoxyamphimedine

Not Available

C₁₉H₁₁BrN₃O

377.2200 Da
376.00800 Da

NP0331680

2-bromodeoxyamphimedine

Not Available

C₁₉H₁₁BrN₃O

377.2200 Da
376.00800 Da

NP0331681

Salicyclic Acid

Not Available

C₇H₆O₃

144.0760 Da
144.05182 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 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, 401 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, 601 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, 401 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, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 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, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 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, 601 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, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 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, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331693

O-Coumaric

Not Available

C₉H₈O₃

164.1580 Da
164.04734 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331694

Cyanogripeptide B

Not Available

C₄₀H₆₅N₉O₈

800.0150 Da
799.49561 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331695

Cyanogripeptide A

Not Available

C₃₈H₆₉N₉O₈

780.0250 Da
779.52691 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, 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: