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

NP0351876

Acrocholrin B

Not Available

C₂₃H₂₉ClO₅

420.9300 Da
420.17035 Da

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

NP0351877

Acrocholrin C

Not Available

C₂₃H₃₁ClO₅

422.9500 Da
422.18600 Da

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)

NP0351878

Acrocholrin D

Not Available

C₂₃H₃₁ClO₅

422.9500 Da
422.18600 Da

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)

NP0351879

Acrocholrin E

Not Available

C₂₃H₂₇ClO₅

418.9100 Da
418.15470 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, 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)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0351880

Acrocholrin F

Not Available

C₂₃H₃₂O₅

388.5040 Da
388.22497 Da

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, CD3OD, experimental)

NP0351881

Acrocholrin G

Not Available

C₂₃H₃₂O₅

388.5040 Da
388.22497 Da

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)

NP0351882

Acrocholrin H

Not Available

C₂₃H₃₁ClO₅

422.9500 Da
422.18600 Da

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)

NP0351883

Acrocholrin I

Not Available

C₂₅H₃₅ClO₆

467.0000 Da
466.21222 Da

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)

NP0351884

Acrocholrin J

Not Available

C₃₁H₃₇ClO₇

557.0800 Da
556.22278 Da

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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