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

NP0350849

5a,13a-diacetoxy-taxadiene

Not Available

C₂₄H₃₆O₄

388.5480 Da
388.26136 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0350902

Salamandamide B

Not Available

C₂₁H₃₈N₂O₇

430.5420 Da
430.26790 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 700 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, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)

NP0350903

Glechomanin

Not Available

C₄₉H₅₅N₉O₉

914.0330 Da
913.41227 Da

¹H NMR Spectrum (1D, 800.255201625, C2D6OS, simulated)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)

NP0350904

Mercurialin

Not Available

C₅₅H₆₃N₁₁O₁₀

1038.1760 Da
1037.47594 Da

¹H NMR Spectrum (1D, 800.255201625, C2D6OS, simulated)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)

NP0350905

Moroidin-QLLVWRNH

Not Available

C₄₉H₆₉N₁₅O₁₁

1044.1850 Da
1043.53010 Da

¹H NMR Spectrum (1D, 800.255201625, C2D6OS, simulated)
¹H NMR Spectrum (1D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)

NP0350943

Fellutanine5

Not Available

C₃₂H₃₆N₄O₃

524.6650 Da
524.27874 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0350946

Mollicellin Z

Not Available

C₂₁H₂₂O₆

370.4010 Da
370.14164 Da

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

NP0350947

Mollicellin Z1

Not Available

C₂₂H₂₄O₆

384.4280 Da
384.15729 Da

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

NP0350965

Aspergilfuranone E

Not Available

C₁₇H₁₆O₃

268.3120 Da
268.10994 Da

¹H NMR Spectrum (1D, 600.153705926, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 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)
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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0350966

8-epi-Aspergilfuranone E

Not Available

C₁₇H₁₆O₃

268.3120 Da
268.10994 Da

¹H NMR Spectrum (1D, 600.153705926, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 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)
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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0350972

(−)-matairesinol

Not Available

C₂₀H₂₂O₆

358.3851 Da
358.14164 Da

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

NP0350974

(−)-Parairesinol

Not Available

C₂₀H₂₂O₆

358.3900 Da
358.14164 Da

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

NP0350975

(2’Z,6’E,10’E)-piperoic acid

Not Available

C₂₂H₃₀O₄

358.4780 Da
358.21441 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, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0350979

Saarvienin A

Not Available

C₇₃H₁₀₅ClN₁₀O₂₂

1510.1400 Da
1508.70934 Da

¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 501 MHz, CD3OD, experimental)

NP0350983

macatrichocarpin B

Not Available

C₂₁H₂₄O₅

356.4180 Da
356.16237 Da

¹H NMR Spectrum (1D, 400 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3CN, experimental)

NP0350984

piperholdripine

Not Available

C₂₄H₄₂N

344.6060 Da
344.33118 Da

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

NP0350985

(R)-2,3-dihydro-7-hydroxy-2-[(S)-2-hydroxy-6-methylhept-5en-2-yl]-2H-1-benzofuran-5-carboxylic acid

Not Available

C₁₈H₂₄O₅

320.3850 Da
320.16237 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0350988

Garciparvifoliol

Not Available

C₂₄H₃₄O₄

386.5320 Da
386.24571 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0350989

Demethylrubraxanthone

Not Available

C₂₃H₂₄O₆

396.4390 Da
396.15729 Da

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

NP0350990

Parvifolixanthone D

Not Available

C₂₉H₃₂O₇

492.5680 Da
492.21480 Da

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

NP0350991

4’-epi-Mangostenone C

Not Available

C₂₄H₂₆O₈

442.4640 Da
442.16277 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0350998

Penibinaphthol A

Not Available

C₂₂H₂₂O₄

350.4140 Da
350.15181 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0350999

Penibinaphthol B

Not Available

C₂₂H₂₂O₄

350.4140 Da
350.15181 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351001

Penibinaphthol C

Not Available

C₂₂H₂₀O₄

348.3980 Da
348.13616 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351002

Penibinaphthol D

Not Available

C₂₂H₂₂O₄

350.4140 Da
350.15181 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

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