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

NP0351161

runachalcone E

Not Available

C₄₀H₄₄O₁₀

684.7820 Da
684.29345 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351160

runachalcone A

Not Available

C₆₀H₆₈O₁₂

981.1920 Da
980.47108 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351159

runachalcone F

Not Available

C₄₀H₃₈O₁₂

710.7320 Da
710.23633 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351158

runachalcone B

Not Available

C₆₀H₆₈O₁₁

965.1930 Da
964.47616 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351157

runachalcone D

Not Available

C₄₀H₄₄O₁₀

684.7820 Da
684.29345 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351156

runachalcone C

Not Available

C₆₀H₆₂O₁₄

1007.1420 Da
1006.41396 Da

¹³C NMR Spectrum (1D, 500.17, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)

NP0351155

Hyperwilsol D

Not Available

C₂₉H₄₆O₄

458.6830 Da
458.33961 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0351154

Hyperwilsol C

Not Available

C₃₀H₄₈O₄

472.7100 Da
472.35526 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 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)

NP0351153

Hyperwilsol B

Not Available

C₃₅H₅₂O₅

552.7960 Da
552.38147 Da

¹³C NMR Spectrum (1D, 200.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 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)

NP0351152

Hyperwilsol A

Not Available

C₂₆H₄₂O₅

434.6170 Da
434.30322 Da

¹³C NMR Spectrum (1D, 125.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0351151

Tenuistones D

Not Available

C₃₃H₄₀O₉

580.6740 Da
580.26723 Da

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

NP0351150

Tenuistones C

Not Available

C₃₃H₄₀O₉

580.6740 Da
580.26723 Da

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

NP0351149

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5,8,9-trihydroxy-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-4-yl isobutyrate

Not Available

C₂₁H₃₅NO₇

413.5110 Da
413.24135 Da

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

NP0351146

(3S,3aS,4R,4aR,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-8,9-dihydroxy-5,8a-dimethyl-2-oxo-2,3,3a,4,4a,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-4-yl isobutyrate

Not Available

C₂₁H₃₃NO₆

395.4960 Da
395.23079 Da

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

NP0351145

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-5-hydroxy-3-((4-hydroxypiperidin-1-yl)methyl)-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₈H₄₃NO₁₀

553.6490 Da
553.28870 Da

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 NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351144

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-3-(morpholinomethyl)-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₇H₄₁NO₁₀

539.6220 Da
539.27305 Da

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

NP0351143

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5,8,9-trihydroxy-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-4-yl isobutyrate

Not Available

C₂₁H₃₅NO₇

413.5110 Da
413.24135 Da

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

NP0351142

(3S,3aS,4S,4aS,5S,8S,8aR,9R,9aS)-5,9-dihydroxy-4-(isobutyryloxy)-3-(methoxymethyl)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8-yl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

Not Available

C₃₄H₄₉Cl₂NO₉

686.6600 Da
685.27844 Da

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

NP0351141

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-4-((4-(4-(bis(2-chloroethyl)amino)phenyl)butanoyl)oxy)-5-hydroxy-3-(methoxymethyl)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₃₄H₄₇Cl₂NO₁₀

700.6500 Da
699.25770 Da

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

NP0351140

(3S,3aS,4S,4aS,5S,8S,8aS,9R,9aS)-3-((dimethylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₅H₃₉NO₉

497.5850 Da
497.26248 Da

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

NP0351139

(3S,3aS,4S,4aR,5S,8S,8aS,9R,9aS)-3-((dipropylamino)methyl)-5-hydroxy-4-(isobutyryloxy)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8,9-diyl diacetate

Not Available

C₂₉H₄₇NO₉

553.6930 Da
553.32508 Da

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

NP0351138

(3S,3aS,4S,4aR,5S,8S,8aR,9R,9aS)-5,9-dihydroxy-4-(isobutyryloxy)-3-(methoxymethyl)-5,8a-dimethyl-2-oxododecahydronaphtho[2,3-b]furan-8-yl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

Not Available

C₃₄H₄₉Cl₂NO₉

686.6600 Da
685.27844 Da

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

NP0351137

arthrichitin I

Not Available

C₃₆H₅₀N₄O₁₁

714.8130 Da
714.34761 Da

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

NP0351136

bletistroside W

Not Available

C₂₁H₂₄O₈

404.4150 Da
404.14712 Da

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

NP0351135

bletistroside M

Not Available

C₃₁H₃₈O₁₂

602.6330 Da
602.23633 Da

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

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