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

NP0333527

strigaibol G

Not Available

C₈₈H₁₅₃N₂₁O₂₃

1873.3160 Da
1872.14482 Da

¹H NMR Spectrum (1D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 214 MHz, C5D5N, experimental)

NP0333528

strigaibol H

Not Available

C₈₈H₁₅₃N₂₁O₂₄

1889.3150 Da
1888.13973 Da

¹H NMR Spectrum (1D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 850 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 214 MHz, C5D5N, experimental)

NP0333530

penicimenolide G

Not Available

C₁₆H₂₂O₄

278.3480 Da
278.15181 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)

NP0333535

(S)-cis-Verbenol

Not Available

C₁₀H₁₆O

152.2370 Da
152.12012 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333562

24-hydroxymuristerone A

Not Available

C₂₇H₄₄O₉

512.6400 Da
512.29853 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0333563

24-hydroxykaladasterone

Not Available

C₂₇H₄₂O₈

494.6250 Da
494.28797 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0333565

2,2′,7,7′-tetramethoxy-[1,1′-biphenanthrene]-4,4′,6,6′-tetraol

Not Available

C₃₂H₂₆O₈

538.5520 Da
538.16277 Da

¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0333567

2-Methoxy-2-methylpropanoic acid

Not Available

C₅H₁₀O₃

118.1320 Da
118.06299 Da

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

NP0333568

2-Methyl-4-phenyl-2-butanol

Not Available

C₁₁H₁₆O

164.2441 Da
164.12012 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333569

2-Phenyl-1-propanol

Not Available

C₉H₁₂O

136.1940 Da
136.08882 Da

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

NP0333570

3-Methoxypropanoic acid

Not Available

C₄H₈O₃

104.1050 Da
104.04734 Da

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

NP0333581

Subphenazine A

Not Available

C₁₉H₁₈N₂O₅

354.3620 Da
354.12157 Da

¹H NMR Spectrum (1D, 500.23308892 MHz, CDCl₃, predicted)
¹H NMR Spectrum (1D, 500.23308892 MHz, CD₃OD, predicted)
¹³C NMR Spectrum (1D, 125.79551184 MHz, CD₃OD, predicted)
¹H NMR Spectrum (1D, 500.23308892 MHz, CD₃OD, predicted)

NP0333582

alternaria G

Not Available

C₂₄H₂₆O₇

426.4650 Da
426.16785 Da

¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0333583

alternaria H

Not Available

C₂₄H₂₆O₇

426.4650 Da
426.16785 Da

¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0333600

triantaspirol A

Not Available

C₃₀H₂₄O₉

528.5130 Da
528.14203 Da

¹H NMR Spectrum (1D, 500 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 500 MHz, C6D6, 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)
¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)

NP0333601

triantaspirol B

Not Available

C₃₀H₂₄O₈

512.5140 Da
512.14712 Da

[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)

NP0333602

triantaspirol C

Not Available

C₃₀H₂₄O₈

512.5140 Da
512.14712 Da

¹H NMR Spectrum (1D, 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)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)

NP0333603

paraphaeolactone C1

Not Available

C₁₇H₁₆O₆

316.3090 Da
316.09469 Da

¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)

NP0333604

paraphaeolactone C2

Not Available

C₁₇H₁₆O₆

316.3090 Da
316.09469 Da

¹H NMR Spectrum (1D, 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 NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)

NP0333605

triantaspirol B triacetate

Not Available

C₃₆H₃₀O₁₁

638.6250 Da
638.17881 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)

NP0333606

triantaspirol C triacetate

Not Available

C₃₆H₃₀O₁₁

638.6250 Da
638.17881 Da

¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)

NP0333607

CJ-12,372 triacetate

Not Available

C₂₆H₂₂O₈

462.4540 Da
462.13147 Da

¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)

NP0333621

2-Aminobenzamide-actiphenol

Not Available

C₂₂H₂₃N₃O₅

409.4420 Da
409.16377 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 599 MHz, C2D6OS, experimental)

NP0333622

Salamandamide A

Not Available

C₂₁H₃₉N₃O₆

429.5580 Da
429.28389 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0333669

Cicholosumin A

Not Available

C₂₀H₂₆O₆

362.4220 Da
362.17294 Da

¹H NMR Spectrum (1D, 599.80599754, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.23370642, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)

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