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

NP0350700

Gamma-amanitin

Not Available

C₃₉H₅₄N₁₀O₁₃S

902.9800 Da
902.35925 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, 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)
[¹H, ¹³C] 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)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0350699

Alpha-amanitin

Not Available

C₃₉H₅₄N₁₀O₁₄S

918.9800 Da
918.35417 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)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)

NP0350698

Phallisacin

Not Available

C₃₇H₅₀N₈O₁₄S

862.9100 Da
862.31672 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, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)

NP0350697

Phallacidin

Not Available

C₃₇H₅₀N₈O₁₃S

846.9100 Da
846.32180 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, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)

NP0350696

Phalloin

Not Available

C₃₅H₄₈N₈O₁₀S

772.8800 Da
772.32141 Da

¹H NMR Spectrum (1D, 699 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, C2D6OS, experimental)

NP0350695

Comptonellin H

Not Available

C₃₇H₆₇N₇O₉

753.9830 Da
753.50003 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350694

Comptonellin G

Not Available

C₄₀H₆₉N₇O₁₀

808.0310 Da
807.51059 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350693

Comptonellin F

Not Available

C₃₉H₆₇N₇O₁₀

794.0040 Da
793.49494 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350692

Comptonellin E

Not Available

C₃₉H₆₉N₇O₉

780.0210 Da
779.51568 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350691

Comptonellin D

Not Available

C₃₈H₆₇N₇O₉

765.9940 Da
765.50003 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350690

Comptonellin C

Not Available

C₃₉H₆₉N₇O₈

764.0220 Da
763.52076 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350689

Comptonellin B

Not Available

C₃₇H₆₅N₇O₈

735.9680 Da
735.48946 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350688

Comptonellin A

Not Available

C₃₈H₆₇N₇O₈

749.9950 Da
749.50511 Da

[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 699 MHz, CD3CN, experimental)

NP0350687

ChlA(-7)-Cl2

Not Available

C₁₂₅H₁₇₀Cl₂N₃₂O₄₂

2863.8200 Da
2861.15274 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350686

ChlA(-7)

Not Available

C₁₂₅H₁₇₂N₃₂O₄₂

2794.9330 Da
2793.23069 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350685

Lusichelin E

Not Available

C₂₅H₂₈N₄O₄S₄

576.7600 Da
576.09934 Da

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

NP0350684

Lusichelin D

Not Available

C₂₅H₂₈N₄O₄S₄

576.7600 Da
576.09934 Da

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

NP0350683

Lusichelin B

Not Available

C₂₅H₂₆N₄O₃S₄

558.7500 Da
558.08878 Da

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)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0350682

Lusichelin A

Not Available

C₂₅H₂₆N₄O₃S₄

558.7500 Da
558.08878 Da

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

NP0350681

Lusichelin C

Not Available

C₂₄H₂₄N₄O₃S₄

544.7200 Da
544.07313 Da

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)

NP0350679

(2S,3Z,5E,7S,8R)-1,1-dichloro-7-methyldeca-3,5-diene-2,7,8-triol

Not Available

C₁₁H₁₈Cl₂O₃

269.1600 Da
268.06330 Da

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 NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350678

(2S,3Z,5E,7R,8R)-1,1-dichloro-7-methyldeca-3,5-diene-2,7,8-triol

Not Available

C₁₁H₁₈Cl₂O₃

269.1600 Da
268.06330 Da

¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)

NP0350677

Agglofuranone B

Not Available

C₁₃H₁₆Cl₂O₄

307.1700 Da
306.04256 Da

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 NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350676

Agglofuranone A

Not Available

C₁₃H₁₆Cl₂O₄

307.1700 Da
306.04256 Da

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 NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350675

Agglopyranone D

Not Available

C₇H₆Cl₂O₃

209.0200 Da
207.96940 Da

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 NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

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