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

NP0350550

Ischnocybine C

Not Available

C₂₂H₃₇NO₄

379.5410 Da
379.27226 Da

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

NP0350551

Ischnocybine A Free Alcohol

Not Available

C₁₄H₂₃NO

221.3440 Da
221.17796 Da

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

NP0350552

coprisamides E

Not Available

C₄₅H₆₄N₈O₁₁

893.0520 Da
892.46945 Da

¹H NMR Spectrum (1D, 600.13, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 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, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350553

coprisamides F

Not Available

C₄₅H₆₄N₈O₁₁

893.0520 Da
892.46945 Da

¹H NMR Spectrum (1D, 600.13, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 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, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350554

coprisamides G

Not Available

C₁₉H₂₁NO₃

311.3810 Da
311.15214 Da

¹H NMR Spectrum (1D, 400.15, C2D6OS, simulated)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0350555

coprisamides H

Not Available

C₁₉H₂₁NO₃

311.3810 Da
311.15214 Da

¹H NMR Spectrum (1D, 400.15, C2D6OS, simulated)
¹H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)

NP0350557

xiapyrrole A

Not Available

C₁₄H₁₅NO₂

229.2790 Da
229.11028 Da

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

NP0350558

xiapyrrole B

Not Available

C₁₄H₁₇NO₃

247.2940 Da
247.12084 Da

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

NP0350559

xiapyrrole C

Not Available

C₁₅H₁₉NO₃

261.3210 Da
261.13649 Da

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

NP0350560

xiapyrrole D

Not Available

C₁₅H₁₇NO₃

259.3050 Da
259.12084 Da

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

NP0350561

xiapyrrole E

Not Available

C₁₅H₁₇NO₂

243.3060 Da
243.12593 Da

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

NP0350562

xiapyrrole F

Not Available

C₁₄H₂₂N₂O₅

298.3390 Da
298.15287 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 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)
¹H NMR Spectrum (1D, 600 MHz, CD3OH, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OH, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350563

(–)-17-epi-cryptanoside A

Not Available

C₃₀H₄₂O₁₀

562.6560 Da
562.27780 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)

NP0350564

(+)-2-hydroxyandrosta-4,6-diene-3-one-17-carboxylic acid

Not Available

C₂₀H₂₆O₄

330.4240 Da
330.18311 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)

NP0350565

Panusimilin A

Not Available

C₂₄H₂₈O₇

428.4810 Da
428.18350 Da

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

NP0350566

Panusimilin B

Not Available

C₂₂H₂₄O₇

400.4270 Da
400.15220 Da

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

NP0350567

Panusimilin C

Not Available

C₂₄H₂₈O₇

428.4810 Da
428.18350 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)

NP0350568

Panusimilin D

Not Available

C₂₂H₂₂O₆

382.4120 Da
382.14164 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C3D6O, experimental)

NP0350569

3,7-Dihydroxy-2,2-dimethyl-6-methoxychromane

Not Available

C₁₂H₁₆O₄

224.2560 Da
224.10486 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, D2O, experimental)

NP0350570

(3R*,4S*)-2,2-Dimethyl-3,4,6-trihydroxychromane

Not Available

C₁₁H₁₄O₄

210.2290 Da
210.08921 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental)

NP0350588

Gymnopeptide C

Not Available

C₈₇H₁₅₄N₁₈O₁₉

1756.2960 Da
1755.16376 Da

¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)

NP0350589

Gymnopeptide D

Not Available

C₈₈H₁₅₆N₁₈O₂₀

1786.3220 Da
1785.17433 Da

¹³C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹⁵N] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)

NP0350590

sealgamide

Not Available

C₇₅H₁₂₂N₁₂O₁₈

1479.8670 Da
1478.90001 Da

[¹H, ¹H] NMR Spectrum (2D, 396 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 392 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3CN, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 392 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 392 MHz, CD3CN, experimental)
[¹H, ¹H] NMR Spectrum (2D, 396 MHz, CD3CN, experimental)

NP0350596

PcTS1diterpene-4

Not Available

C₂₀H₃₂

274.4880 Da
274.26295 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, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350597

PcTS1diterpene-5

Not Available

C₂₀H₃₁F

290.4660 Da
290.24098 Da

¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C6D6, experimental)
¹⁹F NMR Spectrum (1D, 565 MHz, C6D6, experimental)

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