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

NP0351678

japonidiene H

Not Available

C₁₈H₂₆O₅

322.4010 Da
322.17802 Da

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

NP0351679

japonidiene I

Not Available

C₁₆H₂₂O₃

262.3490 Da
262.15689 Da

¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0351681

Holothurin B5

Not Available

C₄₃H₆₅NaO₁₈S

925.0200 Da
924.37893 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351682

Holothurin B6

Not Available

C₄₁H₆₃NaO₁₇S

882.9900 Da
882.36837 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351683

Holothurin B7

Not Available

C₄₁H₆₃NaO₁₇S

882.9900 Da
882.36837 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351684

Desholothurin B5

Not Available

C₄₃H₆₆O₁₅

822.9860 Da
822.44017 Da

¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0351685

Desholothurin B6

Not Available

C₄₁H₆₄O₁₄

780.9490 Da
780.42961 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351686

Holothurin F

Not Available

C₄₁H₆₂O₁₂

746.9350 Da
746.42413 Da

¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351687

Holothurin G

Not Available

C₄₁H₆₄O₁₂

748.9510 Da
748.43978 Da

[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 226 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 900 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)

NP0351688

putrescinamide A

Not Available

C₂₀H₄₂N₂O₂

342.5680 Da
342.32463 Da

[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0351689

putrescinamide B

Not Available

C₂₂H₄₄N₂O₂

368.6060 Da
368.34028 Da

¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)

NP0351690

Aleutianamine B

Not Available

C₂₀H₁₃BrF₃N₃O₄S

528.3000 Da
526.97622 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0351695

pendulumindion

Not Available

C₈H₁₂N₂O₂

168.1960 Da
168.08988 Da

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, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0351696

pendulumlignan

Not Available

C₃₆H₄₀O₁₅

712.7010 Da
712.23672 Da

¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0351697

Fusadapamide A

Not Available

C₁₉H₃₆N₄O₅

400.5200 Da
400.26857 Da

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, ¹⁵N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0351698

Fusadapamide B

Not Available

C₁₉H₃₆N₄O₅

400.5200 Da
400.26857 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)

NP0351699

Fusadapamide C

Not Available

C₁₈H₃₄N₄O₅

386.4930 Da
386.25292 Da

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

NP0351708

Sclerolactone A

Not Available

C₁₇H₂₆O₄

294.3910 Da
294.18311 Da

¹³C NMR Spectrum (1D, 100.0, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 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)

NP0351709

Sclerolactone B

Not Available

C₁₉H₂₈O₅

336.4280 Da
336.19367 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351710

Peniphilone A

Not Available

C₂₅H₃₀ClNO₆

475.9700 Da
475.17617 Da

¹³C NMR Spectrum (1D, 150.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 597 MHz, CDCl3, experimental)

NP0351711

Peniphilone B

Not Available

C₂₉H₃₂ClNO₅

510.0300 Da
509.19690 Da

¹³C NMR Spectrum (1D, 150.0, CDCl₃, simulated)
¹H NMR Spectrum (1D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)

NP0351712

Peniphilone C

Not Available

C₁₉H₂₆O₆

350.4110 Da
350.17294 Da

¹³C NMR Spectrum (1D, 150.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)

NP0351713

Peniphilone D

Not Available

C₂₁H₂₈O₇

392.4480 Da
392.18350 Da

¹³C NMR Spectrum (1D, 150.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 150 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 597 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 597 MHz, CDCl3, experimental)

NP0351714

Peniphilone E

Not Available

C₁₉H₂₈O₆

352.4270 Da
352.18859 Da

¹³C NMR Spectrum (1D, 100.0, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0351715

Peniphilone F

Not Available

C₂₀H₃₀O₆

366.4540 Da
366.20424 Da

¹³C NMR Spectrum (1D, 150.0, CDCl₃, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
Unknown NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
Unknown NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
Unknown NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

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