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

NP0333273

1,4-Dioxane-2,5-diol

Not Available

C₄H₈O₄

120.1040 Da
120.04226 Da

¹H NMR Spectrum (1D, 800, CD₃OD, simulated)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 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)

NP0333271

Tribrassidin

Not Available

C₆₉H₁₂₈O₆

1053.7770 Da
1052.97109 Da

¹H NMR Spectrum (1D, 600, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333252

Mysumamine D

Not Available

C₂₀H₃₁N₃O₂

345.4870 Da
345.24163 Da

¹H NMR Spectrum (1D, 500.11, CDCl₃, simulated)

NP0333251

Mysumamine C

Not Available

C₁₅H₂₄N₂O

248.3700 Da
248.18886 Da

¹H NMR Spectrum (1D, 500.11, CDCl₃, simulated)

NP0333250

Mysumamine B

Not Available

C₁₅H₂₄N₂O₃

280.3680 Da
280.17869 Da

¹H NMR Spectrum (1D, 500.11, CDCl₃, simulated)

NP0333249

Mysumamine A

Not Available

C₁₅H₂₄N₂O₂

264.3690 Da
264.18378 Da

¹H NMR Spectrum (1D, 500.11, CDCl₃, simulated)

NP0333244

Uvarialeptol B

Not Available

C₂₉H₂₈O₇

488.5360 Da
488.18350 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0333243

Uvarialeptol A

Not Available

C₂₈H₂₆O₆

458.5100 Da
458.17294 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)

NP0333242

Uvarialeptone C

Not Available

C₂₅H₂₄O₇

436.4600 Da
436.15220 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0333241

Uvarialeptone B

Not Available

C₄₈H₄₄O₁₂

812.8680 Da
812.28328 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0333240

Uvarialeptone A

Not Available

C₅₀H₄₈O₁₄

872.9200 Da
872.30441 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0333238

(±)-Neobulgarone P

Not Available

C₃₄H₂₉ClO₁₀

633.0500 Da
632.14492 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333237

(±)-Neobulgarone N

Not Available

C₃₃H₂₇ClO₉

603.0200 Da
602.13436 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333236

(±)-Neobulgarone M

Not Available

C₃₃H₂₇ClO₉

603.0200 Da
602.13436 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333235

(±)-Neobulgarone L

Not Available

C₃₃H₂₇ClO₉

603.0200 Da
602.13436 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 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, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333234

Neobulgarone K

Not Available

C₃₄H₂₈Cl₂O₁₀

667.4900 Da
666.10595 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333233

(±)-Neobulgarone J

Not Available

C₃₄H₂₈Cl₂O₁₀

667.4900 Da
666.10595 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333232

(±)-Neobulgarone I

Not Available

C₃₃H₂₆Cl₂O₉

637.4600 Da
636.09539 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333231

(+)-Neobulgarone H

Not Available

C₃₃H₂₆Cl₂O₉

637.4600 Da
636.09539 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333229

(±)-Neobulgarone E

Not Available

C₃₂H₂₄Cl₂O₈

607.4400 Da
606.08482 Da

¹H NMR Spectrum (1D, 601 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, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333227

7-Methoxycarviolin

Not Available

C₁₇H₁₄O₇

330.2920 Da
330.07395 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0333205

Glenthamide A

Not Available

C₂₂H₂₃NO₉

445.4240 Da
445.13728 Da

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

NP0333204

Glenthol B

Not Available

C₁₆H₁₆O₆

304.2980 Da
304.09469 Da

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

NP0333203

Glenthol A

Not Available

C₁₆H₁₆O₆

304.2980 Da
304.09469 Da

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

NP0333202

Glenthimine A

Not Available

C₃₈H₃₇NO₁₃

715.7080 Da
715.22649 Da

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

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