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

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)

NP0333608

cladoic acid

Not Available

C₂₁H₃₂O₅

364.4820 Da
364.22497 Da

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

NP0333609

(S)-MTPA ester 4a

Not Available

C₃₂H₄₁F₃O₇

594.6680 Da
594.28044 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0333610

(R)-MTPA ester 4a

Not Available

C₃₂H₄₁F₃O₇

594.6680 Da
594.28044 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0333611

Maduramycin A

Not Available

C₄₃H₆₁NO₂₁

927.9470 Da
927.37361 Da

¹H NMR Spectrum (1D, 400.152470926, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0333612

Maduramycin B

Not Available

C₄₂H₅₉NO₂₁

913.9200 Da
913.35796 Da

¹H NMR Spectrum (1D, 600.133705802, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0333613

Maduramycin C

Not Available

C₃₈H₅₅NO₂₁

861.8440 Da
861.32666 Da

¹H NMR Spectrum (1D, 400.152470926, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0333614

Maduramycin D

Not Available

C₂₀H₂₂O₂

294.3940 Da
294.16198 Da

¹H NMR Spectrum (1D, 400.152470926, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] 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, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0333615

Maduramycin E

Not Available

C₁₉H₂₀O₂

280.3670 Da
280.14633 Da

¹H NMR Spectrum (1D, 400.152470926, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] 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, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0333616

sucurchalasin A

Not Available

C₄₀H₅₃NO₉S

723.9200 Da
723.34410 Da

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

NP0333617

sucurchalasin B

Not Available

C₄₀H₅₃NO₉S

723.9200 Da
723.34410 Da

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)
[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)

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)

NP0333646

Acroamine A

Not Available

C₁₀H₁₂N₈

244.2620 Da
244.11849 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 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)
[¹H, ¹³C] 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)

NP0333647

Acroamine A1

Not Available

C₁₆H₂₅N₈

329.4310 Da
329.21967 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333648

Acroamine A2

Not Available

C₁₅H₂₃N₈

315.4040 Da
315.20402 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0333649

Acroamine A3

Not Available

C₁₄H₂₁N₈

301.3770 Da
301.18837 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 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)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0333650

Acroamine A4

Not Available

C₁₆H₂₆N₈

330.4390 Da
330.22695 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹³C, ¹⁵N] NMR Spectrum (2D, 151 MHz, CD3OD, experimental)

NP0333651

Acroamine A5

Not Available

C₁₇H₂₇N₉

357.4650 Da
357.23784 Da

¹H NMR Spectrum (1D, 600.314502325, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0333652

Acroamine A6

Not Available

C₁₀H₁₁BrN₈

323.1580 Da
322.02900 Da

¹H NMR Spectrum (1D, 600 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)

NP0333653

Acroamine A7

Not Available

C₁₀H₁₀Br₂N₈

402.0540 Da
399.93952 Da

¹H NMR Spectrum (1D, 600 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

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