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

NP0332988

7α,27-dihydroxy-1-oxo-witha-2,5,24-trienolide

Not Available

C₂₈H₃₈O₅

454.6070 Da
454.27192 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332989

Daturametelin A

Not Available

C₃₄H₄₈O₉

600.7490 Da
600.32983 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332991

(22R)-27-hydroxy-7α-methoxy-1-oxowitha-3,5,24-trienolide

Not Available

C₂₉H₄₀O₅

468.6340 Da
468.28757 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332992

Daturafoliside I

Not Available

C₃₄H₄₈O₁₀

616.7480 Da
616.32475 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332993

(22R)-27-hydroxy-7α-methoxy-1-oxowitha-3,5,24-trienolide-27-O-β-D-glucopyranoside

Not Available

C₃₅H₅₀O₁₀

630.7750 Da
630.34040 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332997

Grisechelin E

Not Available

C₁₃H₈Cl₂N₂O₂S

327.1800 Da
325.96835 Da

¹³C NMR Spectrum (1D, 176 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700.184323611, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)

NP0332998

Grisechelin F

Not Available

C₂₀H₁₂Cl₂N₂O₄S

447.2900 Da
445.98948 Da

¹³C NMR Spectrum (1D, 176 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700.184323611, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)

NP0332999

grisechelin G

Not Available

C₁₀H₆Cl₂N₂O₂

257.0700 Da
255.98063 Da

¹³C NMR Spectrum (1D, 176 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700.184323611, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)

NP0333000

grisechelin H

Not Available

C₁₀H₆ClNO₃

223.6100 Da
223.00362 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333001

grisechelin I

Not Available

C₁₆H₁₂N₄O₂S₂

356.4200 Da
356.04017 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333002

grisechelin J

Not Available

C₁₆H₁₁ClN₄O₂S₂

390.8600 Da
390.00120 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333003

grisechelin K

Not Available

C₁₃H₉ClN₂O₂S

292.7400 Da
292.00733 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333004

grisechelin L

Not Available

C₁₃H₁₀N₂O₂S

258.3000 Da
258.04630 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333005

grisechelin M

Not Available

C₁₆H₉ClN₄O₂S₂

388.8400 Da
387.98555 Da

¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 700.18490126, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0333006

grisechelin N

Not Available

C₁₆H₁₀Cl₂N₂O₂S

365.2300 Da
363.98400 Da

¹³C NMR Spectrum (1D, 176 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700.18490126, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CDCl3, experimental)

NP0333009

Phascolosomine A

Not Available

C₁₄H₂₉N₄O₂

285.4110 Da
285.22850 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0333010

Phascolosomine B

Not Available

C₁₂H₂₇N₄O

243.3740 Da
243.21794 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)

NP0333011

Phascolosomine C

Not Available

C₁₃H₂₉N₄O

257.4010 Da
257.23359 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)

NP0333012

Phascolosomine D

Not Available

C₁₄H₂₉N₄O

269.4120 Da
269.23359 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)

NP0333013

Phascolosomine E

Not Available

C₁₄H₃₁N₄O

271.4280 Da
271.24924 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)

NP0333014

Phascolosomine F

Not Available

C₁₁H₂₅N₄O

229.3470 Da
229.20229 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0333033

cladophorol A

Not Available

C₁₃H₈O₆

260.2010 Da
260.03209 Da

¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 800.23, CD₃OD, simulated)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)