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

NP0332270

Compound 1

Not Available

C₂₄H₃₀O₈

446.4960 Da
446.19407 Da

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

NP0332271

Compound 12

Not Available

C₂₃H₂₆O₇

414.4540 Da
414.16785 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[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)

NP0332272

Compound 14

Not Available

C₃₀H₃₄O₈

522.5940 Da
522.22537 Da

[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)

NP0332273

Compound 11

Not Available

C₂₅H₃₁NO₇

457.5230 Da
457.21005 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)

NP0332274

Compound 4

Not Available

C₂₁H₂₆O₇

390.4320 Da
390.16785 Da

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 NMR Spectrum (1D, 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)

NP0332275

Compound 7

Not Available

C₂₅H₃₀O₈

458.5070 Da
458.19407 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)

NP0332276

Compound 13b

Not Available

C₃₃H₃₈O₁₀

594.6570 Da
594.24650 Da

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

NP0332277

Compound 10

Not Available

C₂₄H₃₂O₈

448.5120 Da
448.20972 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)

NP0332278

Brucine sulfate heptahydrate

Not Available

C₂₃H₂₆N₂O₄

394.4710 Da
394.18926 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332279

2',5'-Dihydroxyacetophenone

Not Available

C₈H₈O₃

152.1473 Da
152.04734 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332280

5,7-dihydroxy-4-methyl-2H-chromen-2-one

Not Available

C₁₀H₈O₄

192.1700 Da
192.04226 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0332281

3-angeloyloxy-5-isobutanoyloxy-7-hydroxycarvotacetone

Not Available

C₁₉H₂₈O₆

352.4270 Da
352.18859 Da

¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0332282

Gambogefic acid D

Not Available

C₃₉H₄₈O₉

660.8040 Da
660.32983 Da

Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332283

Garcilatelibiphenyl D

Not Available

C₁₈H₁₈O₄

298.3380 Da
298.12051 Da

Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332284

Garcilatelibiphenyl A

Not Available

C₁₈H₂₂O₅

318.3690 Da
318.14672 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)

NP0332285

8-Methoxygarcilatelic acid

Not Available

C₃₄H₄₀O₉

592.6850 Da
592.26723 Da

[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)

NP0332286

Gambogefic acid E

Not Available

C₃₈H₄₆O₉

646.7770 Da
646.31418 Da

[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332287

Garcilatelibiphenyl C

Not Available

C₁₈H₂₀O₃

284.3550 Da
284.14124 Da

Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332288

Garcilatelic acid

Not Available

C₃₃H₃₆O₈

560.6430 Da
560.24102 Da

[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)

NP0332289

Gambogefic acid C

Not Available

C₃₈H₄₄O₈

628.7620 Da
628.30362 Da

[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332290

Garcilatelibiphenyl B

Not Available

C₁₈H₂₀O₅

316.3530 Da
316.13107 Da

¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)

NP0332291

Gambogefic acid B

Not Available

C₃₈H₄₄O₈

628.7620 Da
628.30362 Da

[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)
Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)

NP0332293

endolide F

Not Available

C₂₅H₃₂N₄O₆

484.5530 Da
484.23218 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, Carbon¹³] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, Carbon¹³] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
Carbon¹³ NMR Spectrum (1D, 101 MHz, C3D6O, experimental)

NP0332294

endolide E

Not Available

C₂₄H₃₆N₄O₅

460.5750 Da
460.26857 Da

[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0332295

Violaceotide E

Not Available

C₂₃H₃₄N₄O₅

446.5480 Da
446.25292 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

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