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

NP0331883

sartorypyrone G

Not Available

C₂₈H₄₀O₅

456.6230 Da
456.28757 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331884

epoxyfarnesyl-triacetate lactone

Not Available

C₂₁H₃₀O₄

346.4670 Da
346.21441 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331885

sartorypyrone F

Not Available

C₂₆H₃₈O₄

414.5860 Da
414.27701 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331886

geranylgeranyl-triacetate lactone carboxylic acid

Not Available

C₂₆H₃₆O₅

428.5690 Da
428.25627 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331887

dihydroxyfarnesyl-triacetate lactone

Not Available

C₂₁H₃₂O₅

364.4820 Da
364.22497 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0331888

epoxygeranylgeranyl-triacetate lactone

Not Available

C₂₆H₃₈O₄

414.5860 Da
414.27701 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331889

17-methoxy-16-hydroxyfarnesyl-triacetate lactone

Not Available

C₂₂H₃₄O₅

378.5090 Da
378.24062 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0331890

kitrinomycin B

Not Available

C₁₂H₈O₉

296.1870 Da
296.01683 Da

¹H NMR Spectrum (1D, 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, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0331891

kitrinomycin A

Not Available

C₁₅H₁₀O₉

334.2360 Da
334.03248 Da

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

NP0331892

miktospiromide A

Not Available

C₁₇H₂₅NO₅

323.3890 Da
323.17327 Da

¹H NMR Spectrum (1D, 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, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0331893

Acidonemycin A

Not Available

C₂₅H₂₂O₁₀

482.4410 Da
482.12130 Da

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)

NP0331894

Acidonemycin C

Not Available

C₂₅H₂₄O₁₁

500.4560 Da
500.13186 Da

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)

NP0331895

Acidonemycin B

Not Available

C₂₆H₂₄O₁₀

496.4680 Da
496.13695 Da

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

NP0331896

Indoline-2-carboxylic acid

Not Available

C₉H₉NO₂

163.1760 Da
163.06333 Da

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

NP0331897

4-hydroxy-2H-chromen-2-one

Not Available

C₉H₆O₃

162.1440 Da
162.03169 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0331898

Retinol acetate

Not Available

C₂₂H₃₂O₂

328.4883 Da
328.24023 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0331899

Propionamide

Not Available

C₃H₇NO

73.0938 Da
73.05276 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0331900

Hexanamide

Not Available

C₆H₁₃NO

115.1760 Da
115.09971 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0331901

Butyramide

Not Available

C₄H₉NO

87.1204 Da
87.06841 Da

¹H NMR Spectrum (1D, 600 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)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)

NP0331902

Isovaleramide

Not Available

C₅H₁₁NO

101.1490 Da
101.08406 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0331903

(+)-(6R,8S) thiomethyldiscorhabdin G*/I

Not Available

C₁₉H₁₆N₃O₂S₂

382.4800 Da
382.06785 Da

¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, simulated)
¹H NMR Spectrum (1D, 600 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)

NP0331904

(+)-(6S) N-13-demethyldiscorhabdin U

Not Available

C₁₉H₁₅BrN₃O₂S

429.3100 Da
428.00629 Da

¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, Methanol, simulated)
¹H NMR Spectrum (1D, 600 MHz, Methanol, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, Methanol, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0331905

Pentanamide

Not Available

C₅H₁₁NO

101.1490 Da
101.08406 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0331906

(+)-(6S) sulphonyl-7,8-dehydrodiscorhabdin E

Not Available

C₁₈H₁₃BrN₃O₅S

463.2800 Da
461.97538 Da

¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, DMSO, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 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)

NP0331907

Acetomenaphthone

Not Available

C₁₅H₁₄O₄

258.2693 Da
258.08921 Da

¹³C NMR Spectrum (1D, 201 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)

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