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

NP0351667

BA derivative 9e

Not Available

C₃₉H₅₃NO₈

663.8520 Da
663.37712 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)

NP0351668

BA derivative 9f

Not Available

C₄₁H₅₈O₈

678.9070 Da
678.41317 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)

NP0351669

BA derivative 9g

Not Available

C₃₉H₅₄O₇

634.8540 Da
634.38695 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)

NP0351670

BA derivative 9h

Not Available

C₃₅H₅₁NO₆

581.7940 Da
581.37164 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 300 MHz, CDCl3, experimental)

NP0351671

japonidiene A

Not Available

C₂₄H₃₂O₇

432.5130 Da
432.21480 Da

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

NP0351672

japonidiene B

Not Available

C₂₀H₃₀O₆

366.4540 Da
366.20424 Da

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

NP0351673

japonidiene C

Not Available

C₂₀H₂₆O₅

346.4230 Da
346.17802 Da

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

NP0351674

japonidiene D

Not Available

C₂₂H₂₈O₆

388.4600 Da
388.18859 Da

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

NP0351675

japonidiene E

Not Available

C₂₇H₃₆O₇

472.5780 Da
472.24610 Da

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

NP0351676

japonidiene F

Not Available

C₂₇H₃₄O₆

454.5630 Da
454.23554 Da

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

NP0351677

japonidiene G

Not Available

C₁₇H₂₆O₄

294.3910 Da
294.18311 Da

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

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)

NP0351680

Geranylated macrocyclic MppE-W80F

Not Available

C₄₇H₆₅N₁₁O₈S

944.1700 Da
943.47383 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 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)

NP0351691

waspergillamide B

Not Available

C₂₀H₂₆N₄O₈

450.4480 Da
450.17506 Da

¹³C NMR Spectrum (1D, 100.0, CD₃OD, simulated)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

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