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

NP0331668

Rumphioside B

Not Available

C₂₈H₃₈O₁₃

582.5990 Da
582.23124 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)

NP0331669

(2R,5R,6S,9S,10S,12S)-15,16-epoxy-2-hydroxy-6-O-(β-d-glucopyranosyl)cleroda-3,7,13(16),14-tetraen-17,12-olid-18-oic acid methyl ester

Not Available

C₂₇H₃₄O₁₂

550.5570 Da
550.20503 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)

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)
¹³C NMR Spectrum (1D, 100.620817547, 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)
¹³C NMR Spectrum (1D, 101 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)

NP0331674

(2’E)-(3S,6R,14R)-3β-trans-p-coumaroyloxy-6β-hydroxyolean-12-en-27-oic

Not Available

C₃₉H₅₄O₆

618.8550 Da
618.39204 Da

¹H NMR Spectrum (1D, 600 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)

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)

NP0331676

(3S,14R)-3β-formyloxy-12-en-27-oic acid

Not Available

C₃₁H₄₈O₄

484.7210 Da
484.35526 Da

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

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, simulated)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 401 MHz, C2D6OS, experimental)

NP0331678

Astilbotriterpenic acid

Not Available

C₃₀H₄₈O₄

472.7100 Da
472.35526 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 401 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 ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331680

2-bromodeoxyamphimedine

Not Available

C₁₉H₁₁BrN₃O

377.2200 Da
376.00800 Da

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

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)

NP0331682

2-Methyl-1,4-Naphthoquinone

Not Available

C₁₁H₈O₂

172.1800 Da
172.05243 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 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, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 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, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY 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)

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