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

NP0350776

Centratherolide-8

Not Available

C₁₉H₂₀O₈

376.3610 Da
376.11582 Da

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

NP0350775

Centratherolide-G

Not Available

C₁₅H₁₆O₆

292.2870 Da
292.09469 Da

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

NP0350774

Centratherolide-F

Not Available

C₁₉H₂₀O₈

376.3610 Da
376.11582 Da

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

NP0350773

Centratherolide-E

Not Available

C₂₀H₂₂O₈

390.3880 Da
390.13147 Da

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

NP0350772

Centratherolide-D

Not Available

C₂₁H₂₄O₁₀

436.4130 Da
436.13695 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 NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0350771

Centratherolide-C

Not Available

C₂₀H₂₄O₉

408.4030 Da
408.14203 Da

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

NP0350770

Centratherolide-B

Not Available

C₁₉H₂₂O₉

394.3760 Da
394.12638 Da

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

NP0350769

Centratherolide-A

Not Available

C₁₉H₂₁ClO₈

412.8200 Da
412.09250 Da

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

NP0350768

ouhanamide

Not Available

C₇₁H₁₂₀N₁₀O₁₇

1385.7940 Da
1384.88329 Da

¹³C NMR Spectrum (1D, 226 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 900 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 900 MHz, CD3OD, experimental)

NP0350767

Sulfatostatin D

Not Available

C₂₁H₃₆O₈S₂

480.6300 Da
480.18516 Da

¹H NMR Spectrum (1D, 500 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)

NP0350766

4-Acetyl-3,5-dicaffeoylquinic acid

Not Available

C₂₇H₂₆O₁₃

558.4920 Da
558.13734 Da

¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0350765

Microviridin 1781

Not Available

C₈₂H₁₁₅N₁₉O₂₆

1782.9290 Da
1781.82606 Da

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

NP0350764

Microviridin 1805

Not Available

C₈₄H₁₁₅N₁₉O₂₆

1806.9510 Da
1805.82606 Da

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

NP0350763

Microviridin 1773

Not Available

C₈₃H₁₁₁N₁₉O₂₅

1774.9090 Da
1773.79985 Da

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

NP0350762

Microginin 653

Not Available

C₃₀H₃₈Cl₂N₄O₈

653.5500 Da
652.20667 Da

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

NP0350761

Ferintoic Acid C (D-Trp, D-Met)

Not Available

C₄₆H₅₈N₈O₉S

899.0800 Da
898.40475 Da

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

NP0350760

Ferintoic Acid A (D-Trp)

Not Available

C₄₆H₅₈N₈O₉

867.0170 Da
866.43268 Da

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

NP0350759

Micropeptin 996 (D-Gln)

Not Available

C₅₂H₆₈N₈O₁₂

997.1600 Da
996.49567 Da

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

NP0350758

Micropeptin 982 (D-Ser)

Not Available

C₅₁H₆₆N₈O₁₂

983.1330 Da
982.48002 Da

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

NP0350757

Micropeptin 982 (L-allo-Thr)

Not Available

C₅₁H₆₆N₈O₁₂

983.1330 Da
982.48002 Da

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

NP0350756

3-Acetyl-1,5-dicaffeoylquinic acid

Not Available

C₂₇H₂₈O₁₃

560.5080 Da
560.15299 Da

¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0350755

3-Acetyl-1,5-dicaffeoylquinic acid

Not Available

C₂₇H₂₆O₁₃

558.4920 Da
558.13734 Da

¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental)

NP0350754

Bipoladisin G

Not Available

C₂₅H₃₈O₃

386.5760 Da
386.28210 Da

¹H NMR Spectrum (1D, 400.13, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0350753

Bipoladisin F

Not Available

C₂₅H₃₈O₃

386.5760 Da
386.28210 Da

¹H NMR Spectrum (1D, 400.13, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 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)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0350752

Bipoladisin E

Not Available

C₂₅H₃₄O₃

382.5440 Da
382.25079 Da

¹H NMR Spectrum (1D, 600.203706235, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 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)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

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