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

NP0332598

Acremoside A

Not Available

C₂₉H₄₆O₁₀

554.6770 Da
554.30910 Da

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

NP0332599

Acremoside F

Not Available

C₃₀H₄₆O₁₀

566.6880 Da
566.30910 Da

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

NP0332600

Acremoside C

Not Available

C₂₉H₄₆O₉

538.6780 Da
538.31418 Da

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

NP0332601

Acremoside B

Not Available

C₃₀H₄₈O₁₀

568.7040 Da
568.32475 Da

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

NP0332602

Acremoside G

Not Available

C₂₉H₄₄O₁₀

552.6610 Da
552.29345 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, 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, experimental)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 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, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 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, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, 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, experimental)
¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)

NP0332608

Noducyclamide A1

Not Available

C₅₈H₉₃N₁₁O₁₅

1184.4440 Da
1183.68526 Da

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

NP0332609

Noducyclamide A2

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

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

NP0332610

Noducyclamide A3

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

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

NP0332611

Noducyclamide A4

Not Available

C₅₈H₉₃N₁₁O₁₃

1152.4460 Da
1151.69543 Da

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

NP0332612

Noducyclamide B1

Not Available

C₆₄H₁₁₂N₁₄O₁₉

1381.6790 Da
1380.82282 Da

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

NP0332613

Noducyclamide B2

Not Available

C₆₄H₁₁₂N₁₄O₁₈

1365.6800 Da
1364.82790 Da

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

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

NP0332615

Leptochelin A

Not Available

C₃₅H₄₀Br₂N₆O₈S₂

896.6700 Da
894.07158 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 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)
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 NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)
¹H NMR Spectrum (1D, 400 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)
¹³C NMR Spectrum (1D, 101 MHz, FAILED_TO_DETECT, experimental)
¹H NMR Spectrum (1D, 400 MHz, FAILED_TO_DETECT, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, FAILED_TO_DETECT, experimental)

NP0332616

Leptochelin B

Not Available

C₃₅H₄₀BrClN₆O₈S₂

852.2100 Da
850.12210 Da

¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 201 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 800 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CDCl3, experimental)

NP0332617

Leptochelin C

Not Available

C₃₄H₃₈Br₂N₆O₈S₂

882.6400 Da
880.05593 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, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
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, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0332618

Leptochelin A - Zn Bound

Not Available

C₃₅H₄₀Br₂N₆O₈S₂Zn

962.0500 Da
957.99962 Da

[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
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, 700 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)

NP0332619

Leptochelin B - Zn Bound

Not Available

C₃₅H₄₀BrClN₆O₈S₂Zn

917.5900 Da
914.05014 Da

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

NP0332620

Leptochelin C - Zn Bound

Not Available

C₃₄H₃₈Br₂N₆O₈S₂Zn

948.0200 Da
943.98398 Da

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

NP0332621

Pepticinnamin E

Not Available

C₄₉H₅₄ClN₅O₁₀

908.4500 Da
907.35592 Da

NP0332622

Pepticinnamin N

Not Available

C₄₉H₅₅N₅O₁₀

874.0040 Da
873.39489 Da

¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)

NP0332623

Pepticinnamin O

Not Available

C₄₄H₄₈ClN₃O₈

782.3300 Da
781.31299 Da

¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)

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