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

NP0331163

Cacolide B

Not Available

C₂₅H₃₆O₆

432.5570 Da
432.25119 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331164

Cacolide F

Not Available

C₂₅H₃₈O₇

450.5720 Da
450.26175 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331165

Cacolide K

Not Available

C₂₇H₄₁NO₇

491.6250 Da
491.28830 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331166

Cacolide H

Not Available

C₂₇H₃₉NO₆

473.6100 Da
473.27774 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331167

Cacolide I

Not Available

C₂₇H₃₉NO₆

473.6100 Da
473.27774 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331168

Cacolide A

Not Available

C₂₅H₃₆O₄

400.5590 Da
400.26136 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331169

Cacolic acid A

Not Available

C₂₅H₃₆O₆

432.5570 Da
432.25119 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331170

Cacolide D

Not Available

C₂₆H₃₈O₆

446.5840 Da
446.26684 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331171

Cacolide E

Not Available

C₂₇H₄₀O₆

460.6110 Da
460.28249 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331172

Cacolide L

Not Available

C₂₇H₄₁NO₇

491.6250 Da
491.28830 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331173

Cacolide G

Not Available

C₂₇H₄₂O₇

478.6260 Da
478.29305 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331174

Cacolide C

Not Available

C₂₅H₃₆O₆

432.5570 Da
432.25119 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331175

Cacolide J

Not Available

C₂₈H₄₁NO₆

487.6370 Da
487.29339 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331176

Antroxazole A

Not Available

C₂₈H₃₅NO₆

481.5890 Da
481.24644 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331179

Talarophenol sulfate

Not Available

C₂₀H₁₇O₈S

417.4100 Da
417.06496 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0331180

Talarophilone A

Not Available

C₂₁H₂₀O₇

384.3840 Da
384.12090 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0331181

Talarophilone B

Not Available

C₂₃H₂₆O₈

430.4530 Da
430.16277 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331182

10-Hydroxyvinorine

Not Available

C₂₁H₂₂N₂O₃

350.4180 Da
350.16304 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331183

3-Hydroxylochnerine

Not Available

C₂₀H₂₄N₂O₃

340.4230 Da
340.17869 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331184

Talaropeptide C

Not Available

C₆₇H₁₁₃N₁₁O₁₄

1296.7040 Da
1295.84685 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331185

Talaropeptide D

Not Available

C₇₂H₁₂₂N₁₂O₁₅

1395.8370 Da
1394.91526 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331186

Talaropeptide B

Not Available

C₇₀H₁₂₀N₁₂O₁₄

1353.8000 Da
1352.90470 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331187

Talaropeptide A

Not Available

C₆₅H₁₁₁N₁₁O₁₃

1254.6670 Da
1253.83628 Da

NP0331188

N-butyl-O-α-D-fructofuranoside

Not Available

C₁₀H₂₀O₆

236.2640 Da
236.12599 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0331189

Erythro guaiacylglycerol 8'-vanillin ether

Not Available

C₁₈H₂₀O₇

348.3510 Da
348.12090 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

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