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

NP0332623

Pepticinnamin O

Not Available

C₄₄H₄₈ClN₃O₈

782.3300 Da
781.31299 Da

¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332622

Pepticinnamin N

Not Available

C₄₉H₅₅N₅O₁₀

874.0040 Da
873.39489 Da

¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332614

(3β, 6β)-urs-12-ene-3,6-diol

Not Available

C₃₀H₅₀O₂

442.7280 Da
442.38108 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332613

Noducyclamide B2

Not Available

C₆₄H₁₁₂N₁₄O₁₈

1365.6800 Da
1364.82790 Da

[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332612

Noducyclamide B1

Not Available

C₆₄H₁₁₂N₁₄O₁₉

1381.6790 Da
1380.82282 Da

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

NP0332611

Noducyclamide A4

Not Available

C₅₈H₉₃N₁₁O₁₃

1152.4460 Da
1151.69543 Da

[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332610

Noducyclamide A3

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

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

NP0332609

Noducyclamide A2

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

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

NP0332608

Noducyclamide A1

Not Available

C₅₈H₉₃N₁₁O₁₅

1184.4440 Da
1183.68526 Da

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

NP0332607

3β-hydroxy-19-oxo-20,21-seco-29,30-nortaraxastan-21-oic acid

Not Available

C₂₈H₄₆O₄

446.6720 Da
446.33961 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332606

3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid

Not Available

C₂₇H₄₄O₄

432.6450 Da
432.32396 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332605

3β-hydroxy-20-oxo-21,22-seco-30-nortaraxastan-22-oic acid

Not Available

C₂₉H₄₈O₄

460.6990 Da
460.35526 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332603

3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate

Not Available

C₃₀H₅₀O₅

490.7250 Da
490.36582 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332595

Compound 9

Not Available

C₂₄H₃₂O₈

448.5120 Da
448.20972 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332594

Compound 12b

Not Available

C₃₃H₃₈O₁₀

594.6570 Da
594.24650 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0332593

Compound 8

Not Available

C₃₀H₃₄O₈

522.5940 Da
522.22537 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0332592

Compound 12a

Not Available

C₃₃H₃₈O₁₀

594.6570 Da
594.24650 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0332591

Kavaratamide A

Not Available

C₃₂H₅₅N₃O₈

609.8050 Da
609.39892 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332590

5’-O-desmethylarmillaribin

Not Available

C₂₃H₂₆O₅

382.4560 Da
382.17802 Da

¹³C NMR Spectrum (1D, 126 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 500 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)

NP0332589

1-hydroarmillaricin

Not Available

C₂₄H₂₉ClO₅

432.9400 Da
432.17035 Da

¹³C NMR Spectrum (1D, 176 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 700 MHz, C3D6O, simulated)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C3D6O, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C3D6O, experimental)
¹H NMR Spectrum (1D, 701 MHz, C3D6O, experimental)

NP0332584

Akunolide B acetonide derivative

Not Available

C₃₉H₇₂O₁₁

716.9940 Da
716.50746 Da

[¹H , ¹H ]-NOESY NMR Spectrum (1D, 392 MHz, C6D6, experimental)
¹H NMR Spectrum (1D, 396 MHz, C6D6, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, C6D6, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 396 MHz, C6D6, experimental)

NP0332583

Akunolide B acyclic derivative

Not Available

C₃₆H₆₈O₁₁

676.9290 Da
676.47616 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332582

Neocyathin C

Not Available

C₂₀H₃₀O₅

350.4550 Da
350.20932 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0332581

Neocyathin E

Not Available

C₂₀H₃₀O₄

334.4560 Da
334.21441 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0332580

Neocyathin F

Not Available

C₄₀H₅₆O₁₀

696.8780 Da
696.38735 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

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