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

NP0351959

Gersemiol D

Not Available

C₂₀H₃₄O

290.4910 Da
290.26097 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)

NP0351954

5β,6β-epoxy-20α,24β,25α-trihydroxy-1,3-dioxowitha-2-enolide

Not Available

C₂₈H₃₈O₈

502.6040 Da
502.25667 Da

¹H NMR Spectrum (1D, 600.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 150.0, C2D6OS, simulated)

NP0351926

12-deacetxyl-12-oxo-19-methdeoxoscalarin

Not Available

C₂₆H₄₀O₃

400.6030 Da
400.29775 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0351925

12-oxo-heteronemin

Not Available

C₂₉H₄₂O₆

486.6490 Da
486.29814 Da

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

NP0351924

12-deacetyl-19-acetoxy-20-methoxyscalarin

Not Available

C₂₈H₄₄O₅

460.6550 Da
460.31887 Da

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

NP0351921

Pyrrospirone Y

Not Available

C₃₃H₄₁NO₄

515.6940 Da
515.30356 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0351920

Pyrrospirone X

Not Available

C₃₆H₄₉NO₅

575.7900 Da
575.36107 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)
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)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)

NP0351919

Pyrrospirone W

Not Available

C₃₂H₄₁NO₅

519.6820 Da
519.29847 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)

NP0351918

Pyrrospirone V

Not Available

C₃₂H₃₉NO₄

501.6670 Da
501.28791 Da

¹H NMR Spectrum (1D, 700.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176.0, 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)

NP0351917

Pyrrospirone U

Not Available

C₃₃H₄₃NO₆

549.7080 Da
549.30904 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)
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, 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)

NP0351916

Pyrrospirone T

Not Available

C₃₄H₄₅NO₆

563.7350 Da
563.32469 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)
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, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0351915

Pyrrospirone S

Not Available

C₃₂H₄₁NO₇

551.6800 Da
551.28830 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 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, 700 MHz, C2D6OS, experimental)

NP0351914

Pyrrospirone R

Not Available

C₃₂H₄₀N₂O₅

532.6810 Da
532.29372 Da

¹H NMR Spectrum (1D, 700.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)

NP0351905

Toonasonoid B

Not Available

C₃₁H₄₀O₉

556.6520 Da
556.26723 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
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, 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)

NP0351904

Toonasonoid A

Not Available

C₂₇H₃₂O₆

452.5470 Da
452.21989 Da

¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 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)
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)

NP0351903

isohydropyrene

Not Available

C₂₀H₃₂

272.4760 Da
272.25040 Da

¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)

NP0351902

alkacellenol

Not Available

C₂₀H₃₂O

288.4750 Da
288.24532 Da

¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)

NP0351901

alkacellene

Not Available

C₂₀H₃₂

272.4760 Da
272.25040 Da

¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)

NP0351900

13-deoxolobophytumin A

Not Available

C₂₀H₃₂

272.4760 Da
272.25040 Da

¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 599 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 599 MHz, C6D6, experimental)

NP0351899

odyverdiene B

Not Available

C₂₀H₃₂

272.4760 Da
272.25040 Da

¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)

NP0351889

malbranketon B

Not Available

C₂₅H₂₇NO₈

469.4900 Da
469.17367 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)

NP0351888

malbranketon A

Not Available

C₂₆H₂₉NO₉

499.5160 Da
499.18423 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)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0351887

Acrocholrin M

Not Available

C₂₃H₂₇ClO₄

402.9200 Da
402.15979 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0351886

Acrocholrin L

Not Available

C₂₃H₃₂O₄

372.5050 Da
372.23006 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0351885

Acrocholrin K

Not Available

C₂₅H₃₃ClO₆

464.9800 Da
464.19657 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

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