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

NP0331696

Cyanogripeptide C

Not Available

C₄₀H₇₃N₉O₈

808.0790 Da
807.55821 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)
¹³C NMR Spectrum (1D, 177 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 ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331700

p-Nitrophenol

Not Available

C₆H₅NO₃

139.1088 Da
139.02694 Da

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

NP0331701

2-O-sinapoyl makisterone A

Not Available

C₃₉H₅₆O₁₁

700.8660 Da
700.38226 Da

¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0331702

3-O-sinapoyl makisterone A

Not Available

C₃₉H₅₆O₁₁

700.8660 Da
700.38226 Da

¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0331706

Streptophenazine S1

Not Available

C₁₉H₁₈N₂O₅

354.3620 Da
354.12157 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0331707

Streptophenazine S2

Not Available

C₁₉H₁₈N₂O₅

354.3620 Da
354.12157 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0331708

Alpha-Naphthoxyacetic Acid

Not Available

C₁₂H₁₀O₃

202.2060 Da
202.06299 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)

NP0331709

Speciogynine

Not Available

C₂₃H₃₀N₂O₄

398.5030 Da
398.22056 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331710

3-Epirhynchophylline

Not Available

C₂₂H₂₈N₂O₄

384.4760 Da
384.20491 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331711

3-Epicorynoxine B

Not Available

C₂₂H₂₈N₂O₄

384.4760 Da
384.20491 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331712

Corynoxine A

Not Available

C₂₂H₂₈N₂O₄

384.4760 Da
384.20491 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331713

Isopaynantheine

Not Available

C₂₃H₂₈N₂O₄

396.4870 Da
396.20491 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331714

Paynantheine

Not Available

C₂₃H₂₈N₂O₄

396.4870 Da
396.20491 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331715

Epiallo-isopaynantheine

Not Available

C₂₃H₂₈N₂O₄

396.4870 Da
396.20491 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331716

Speciociliatine-N(4)-oxide

Not Available

C₂₃H₃₀N₂O₅

414.5020 Da
414.21547 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331717

Mitragynine-N(4)-oxide

Not Available

C₂₃H₃₀N₂O₅

414.5020 Da
414.21547 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331718

Mitraciliatine

Not Available

C₂₃H₃₀N₂O₄

398.5030 Da
398.22056 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331719

Speciociliatine

Not Available

C₂₃H₃₀N₂O₄

398.5030 Da
398.22056 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331720

Epiallo-isopaynantheine-N(4)-oxide

Not Available

C₂₃H₂₈N₂O₅

412.4860 Da
412.19982 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331721

Isopaynantheine-N(4)-oxide

Not Available

C₂₃H₂₈N₂O₅

412.4860 Da
412.19982 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331722

Isorotundifoleine

Not Available

C₂₂H₂₆N₂O₅

398.4590 Da
398.18417 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331723

Isospeciofoleine

Not Available

C₂₂H₂₆N₂O₅

398.4590 Da
398.18417 Da

¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0331724

Speciofoline

Not Available

C₂₂H₂₈N₂O₅

400.4750 Da
400.19982 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331725

(E)-ferulic acid

Not Available

C₁₀H₁₀O₄

194.1840 Da
194.05791 Da

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

NP0331726

Hydroxytyrosol-1-O-β-glucoside

Not Available

C₁₄H₂₀O₈

316.3060 Da
316.11582 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 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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