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

NP0352120

(S,Z)-1-((5-(3-hydroxy-2-(methoxymethyl)styryl)-3,6-dimethylpyrazin-2-yl)methyl)-1,3-dihydroisobenzofuran-4-ol

Not Available

C₂₅H₂₆N₂O₄

418.4930 Da
418.18926 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 NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)

NP0352127

_6-epi-11-deoxytetrodotoxin

Not Available

C₁₁H₁₈N₃O₇

304.2780 Da
304.11393 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)

NP0352128

_8-epi-6-deoxytetrodotoxin

Not Available

C₁₁H₁₈N₃O₇

304.2780 Da
304.11393 Da

¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)

NP0352129

_1-hydroxy-8-epi-6,11-dideoxytetrodotoxin

Not Available

C₁₁H₁₈N₃O₇

304.2780 Da
304.11393 Da

¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)

NP0352130

_1-hydroxy-4,9-anhydro-8-epi-10-hemiketal-5,6,11-trideoxytetrodotoxin

Not Available

C₁₁H₁₆N₃O₅

270.2640 Da
270.10845 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 600 MHz, D2O, experimental)

NP0352144

(7S,10S,14S,17S,19aS,25aS)-17-(2-hydroxybutan-2-yl)-5,9,16,19,25-pentaoxodocosahydro-1H,16H-10,14-methanopyrido[2,1-f]pyrrolo[2,1-i][1]oxa[4,7,10,14,17]pentaazacycloicosine-7-carboxylic acid

Not Available

C₂₇H₄₁N₅O₉

579.6510 Da
579.29043 Da

¹H NMR Spectrum (1D, 500.0, D₂O, simulated)
¹³C NMR Spectrum (1D, 125.0, D₂O, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, D2O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, D2O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D2O, experimental)

NP0352145

sarocladone A

Not Available

C₁₄H₁₈O₃

234.2950 Da
234.12559 Da

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

NP0352146

sarocladone B

Not Available

C₁₅H₁₈O₅

278.3040 Da
278.11542 Da

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

NP0352147

sarocladone C

Not Available

C₁₃H₁₆O₃

220.2680 Da
220.10994 Da

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

NP0352148

sarocladone D

Not Available

C₁₅H₁₈O₄

262.3050 Da
262.12051 Da

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

NP0352149

sarocladone E

Not Available

C₁₅H₂₀O₅

280.3200 Da
280.13107 Da

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

NP0352150

sarocladone F

Not Available

C₁₅H₂₀O₅

280.3200 Da
280.13107 Da

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

NP0352151

sarocladone G

Not Available

C₂₀H₂₄O₅

344.4070 Da
344.16237 Da

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

NP0352152

sarocladone H

Not Available

C₁₂H₁₆O₂

192.2580 Da
192.11503 Da

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

NP0352153

sarocladone I

Not Available

C₁₅H₂₀O₃

248.3220 Da
248.14124 Da

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

NP0352154

collecladone A

Not Available

C₁₄H₂₀O₃

236.3110 Da
236.14124 Da

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

NP0352155

collecladone B

Not Available

C₁₃H₁₈O₃

222.2840 Da
222.12559 Da

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

NP0352170

kaempferol 5,7,4'-trimethyl ether

Not Available

C₁₈H₁₆O₆

328.3200 Da
328.09469 Da

¹³C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)
¹H NMR Spectrum (1D, 400.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)

NP0352171

methyl rocaglate

Not Available

C₂₈H₂₈O₈

492.5240 Da
492.17842 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)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0352172

bromo-didesmethylrocaglamide

Not Available

C₂₇H₂₆BrNO₇

556.4090 Da
555.08926 Da

¹H NMR Spectrum (1D, 700.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0352173

(O-Succinyl)-didesmethylrocaglamide

Not Available

C₃₁H₃₁NO₁₀

577.5860 Da
577.19480 Da

¹H NMR Spectrum (1D, 700.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0352174

(O-Boc-glycine)-didesmethylrocaglamide

Not Available

C₃₄H₃₈N₂O₁₀

634.6820 Da
634.25265 Da

¹H NMR Spectrum (1D, 700.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 175.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 700 MHz, CD3OD, experimental)

NP0352185

PM-94128-P

Not Available

C₂₂H₃₅N₂O₉P

502.5010 Da
502.20802 Da

¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ³¹P] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
³¹P NMR Spectrum (1D, 162 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0352194

Aspertoryadin K

Not Available

C₂₆H₂₆N₄O₅

474.5170 Da
474.19032 Da

¹H NMR Spectrum (1D, 500.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 175.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0352195

Pyripyropene X

Not Available

C₂₅H₃₁NO₅

425.5250 Da
425.22022 Da

¹H NMR Spectrum (1D, 700.0, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 175.0, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] 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, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)

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