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

NP0332296

Violaceotide C

Not Available

C₂₃H₃₄N₄O₅

446.5480 Da
446.25292 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)

NP0332297

Violaceotide D

Not Available

C₂₄H₃₆N₄O₆

476.5740 Da
476.26348 Da

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

NP0332298

Violaceotide B

Not Available

C₂₅H₃₆N₄O₆

488.5850 Da
488.26348 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)

NP0332299

asterripeptide C

Not Available

C₂₈H₃₁N₃O₄

473.5730 Da
473.23146 Da

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

NP0332300

asterresin A

Not Available

C₂₄H₂₀N₂O₅

416.4330 Da
416.13722 Da

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

NP0332301

terreuside A

Not Available

C₃₉H₄₀N₂O₈

664.7550 Da
664.27847 Da

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

NP0332302

asterripeptide A

Not Available

C₂₉H₃₃N₃O₄

487.6000 Da
487.24711 Da

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

NP0332303

terreuside B

Not Available

C₄₂H₄₈N₂O₈

708.8520 Da
708.34107 Da

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

NP0332304

giluterrin

Not Available

C₂₉H₂₈N₂O₅

484.5520 Da
484.19982 Da

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

NP0332305

asterripeptide B

Not Available

C₂₉H₃₃N₃O₄

487.6000 Da
487.24711 Da

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

NP0332306

tetrapetalone G

Not Available

C₂₀H₂₃NO₅

357.4060 Da
357.15762 Da

¹H NMR Spectrum (1D, 400 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)

NP0332307

tetrapetalone K

Not Available

C₂₄H₂₉NO₇

443.4960 Da
443.19440 Da

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

NP0332308

tetrapetalone E

Not Available

C₂₅H₃₁NO₉

489.5210 Da
489.19988 Da

¹H NMR Spectrum (1D, 400 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)

NP0332309

tetrapetalone H

Not Available

C₂₆H₃₃NO₉

503.5480 Da
503.21553 Da

¹H NMR Spectrum (1D, 400 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)

NP0332310

tetrapetalone F

Not Available

C₁₉H₂₁NO₅

343.3790 Da
343.14197 Da

¹H NMR Spectrum (1D, 400 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)

NP0332311

tetrapetalone I

Not Available

C₂₅H₃₁NO₇

457.5230 Da
457.21005 Da

¹H NMR Spectrum (1D, 400 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental)

NP0332312

tetrapetalone J

Not Available

C₂₅H₃₁NO₈

473.5220 Da
473.20497 Da

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

NP0332313

Glycosyl-migrastatin

Not Available

C₃₃H₄₉NO₁₂

651.7500 Da
651.32548 Da

¹H NMR Spectrum (1D, 800, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)

NP0332314

5-Hydroxy-migrastatin

Not Available

C₂₇H₃₉NO₈

505.6080 Da
505.26757 Da

¹H NMR Spectrum (1D, 850, C2D6OS, simulated)
¹H NMR Spectrum (1D, 850 MHz, C2D6OS, experimental)

NP0332315

(-)-(7S,8R,1’R,3’R,4’R,5’S)-delta8’-4’-acetoxy-,5,3’,5’-trimethoxy-3,4-methylenedioxy-1’,2’,3’,4,’5’,6’-hexahydro-6’-oxo-7.3’,8.5’-neolignan

Not Available

C₂₄H₃₀O₈

446.4960 Da
446.19407 Da

[¹H, ¹³C] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)

NP0332316

(+)-(7S,8R,1’R,3’R,5’R,6’S)-delta8’-6’-hydroxy-3,4,5,3’,5’-pentamethoxy-1’,2’,3’,4,’5’,6’-hexahydro-4’-oxo-7.3’,8.5’-neolignan

Not Available

C₂₃H₃₂O₇

420.5020 Da
420.21480 Da

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

NP0332317

(-)-(7S,8R,3’R,4’S,5’S)-delta8’-4’-acetoxy-3,4,5,3’,5’-pentamethoxy-2’,3’,4’,5’-tetrahydro-2’-oxo-7.3’,8.5’-neolignan

Not Available

C₂₅H₃₂O₈

460.5230 Da
460.20972 Da

[¹H, ¹³C] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 300 MHz, CDCl3, experimental)

NP0332318

(-)-(7S,8R,3’R,4’R,5’S)-delta8’-4’-hydroxy-5,3’,5’-trimethoxy-3,4-methylenedioxy-3’,4,’5’,6’-tetrahydro-6’-oxo-7.3’,8.5’-neolignan

Not Available

C₂₂H₂₆O₇

402.4430 Da
402.16785 Da

[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332319

(-)-(7S,8R,1’R,3’R,4’R,5’R,6’S)-delta8’-4’-acetoxy-6’-hydroxy-5,3’,5’-trimethoxy-3,4-methylenedioxy-1’,2’,3’,4,’5’,6’-hexahydro-7.3’,8.5’-neolignan

Not Available

C₂₄H₃₂O₈

448.5120 Da
448.20972 Da

[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0332320

(-)-(7S,8R,1’S,3’R,4’R,5’S)-4’-acetoxy-1’,9’-dihydroxy-5,3’,5’-trimethoxy-3,4-methylenedioxy-1’,2’,3’,4,’5’,6’-hexahydro-6’,8’-dioxo-7.3’,8.5’-neolignan

Not Available

C₂₄H₃₀O₁₁

494.4930 Da
494.17881 Da

[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 75 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

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