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

NP0002896

Phenylmethanesulfonyl fluoride

Baptisia arachnifera
Baptisia bracteata
Baptisia calycosa
Baptisia cinerea
Baptisia lanceolata
Baptisia lecontei
Baptisia megacarpa
Baptisia nuttalliana
Baptisia perfoliata
Baptisia simplicifolia
Begonia nantoensis
Bituminaria acaulis
Froelichia floridana
Genista lydia
Glycine max
Ixora coccinea
Medicago sativa
Medicago truncatula
Pueraria candollei var. mirifica
Pueraria lobata
Pueraria mirifica
Pueraria spp.
Pueraria tuberosa
Retama sphaerocarpa
Thermopsis macrophylla
Thermopsis mollis
Thermopsis rhombifolia
Thermopsis villosa
Trifolium pratense
Vigna radiata
(show all show less)

C₇H₇FO₂S

174.1900 Da
174.01508 Da

¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002895

Khellin

Allium nutans
Ammi visnaga
Annona muricata
Dioscorea deltoidea
Dioscorea parviflora

C₁₄H₁₂O₅

260.2450 Da
260.06847 Da

¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002894

2-Hydroxyethyl salicylate

Not Available

C₉H₁₀O₄

182.1750 Da
182.05791 Da

¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002893

21-Hydroxypregnenolone

Anas platyrhynchos
Anatidae
Anser anser
Bison bison
Bos taurus X Bison bison
Bos taurus
Bubalus bubalis
Capra aegagrus hircus
Cervidae
Cervus canadensis
Columba
Columbidae
Dromaius novaehollandiae
Equus caballus
Gallus gallus
Lagopus muta
Leporidae
Lepus timidus
Melanitta fusca
Meleagris gallopavo
Mus musculus
Numida meleagris
Odocoileus
Oryctolagus
Ovis aries
Phasianidae
Phasianus colchicus
Struthio camelus
Sus scrofa
Sus scrofa domestica
(show all show less)

C₂₁H₃₂O₃

332.4840 Da
332.23514 Da

¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002892

Parabanic acid

Not Available

C₃H₂N₂O₃

114.0600 Da
114.00654 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002890

Phenoxyacetic acid

Theobroma cacao

C₈H₈O₃

152.1473 Da
152.04734 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002889

N-Methyl-L-aspartic acid

Not Available

C₅H₉NO₄

147.1300 Da
147.05316 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002887

p-Fluorobenzoic acid

Not Available

C₇H₅FO₂

140.1130 Da
140.02736 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002886

N-Methylurea

Not Available

C₂H₆N₂O

74.0818 Da
74.04801 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002884

Digoxigenin

Asclepias syriaca
Digitalis purpurea

C₂₃H₃₄O₅

390.5131 Da
390.24062 Da

¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)

NP0002883

bis(2-butoxyethyl)phthalate

Not Available

C₂₀H₃₀O₆

366.4540 Da
366.20424 Da

¹H NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)

NP0002882

Apocholic acid

Not Available

C₂₄H₃₈O₄

390.5640 Da
390.27701 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002881

6-Ethylmercaptopurine

Not Available

C₇H₈N₄S

180.2300 Da
180.04697 Da

¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)

NP0002880

3-Deazauridine

Not Available

C₁₀H₁₃NO₆

243.2133 Da
243.07429 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002879

2,3-Difluorobenzyl alcohol

Not Available

C₇H₆F₂O

144.1187 Da
144.03867 Da

¹H NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Methanol, experimental)

NP0002878

1-Amino-1-cyclohexanecarboxylic acid

Not Available

C₇H₁₃NO₂

143.1836 Da
143.09463 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002877

Sulfanilic acid

Apis cerana

C₆H₇NO₃S

173.1900 Da
173.01466 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002876

sec-Butylbenzene

Not Available

C₁₀H₁₄

134.2220 Da
134.10955 Da

¹H NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)

NP0002875

o-Fluoroaniline

Not Available

C₆H₆FN

111.1169 Da
111.04843 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002874

N-(2-Furoyl)glycine methyl ester

Not Available

C₈H₉NO₄

183.1630 Da
183.05316 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002873

Epichlorohydrin

Not Available

C₃H₅ClO

92.5200 Da
92.00289 Da

¹H NMR Spectrum (1D, 500 MHz, Benzene, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Benzene, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Benzene, experimental)

NP0002872

Diphenylacetic acid

Not Available

C₁₄H₁₂O₂

212.2439 Da
212.08373 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

NP0002871

Dioctyl sulfosuccinate

Not Available

C₂₀H₃₈O₇S

422.5770 Da
422.23382 Da

¹H NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)
¹³C NMR Spectrum (1D, 500 MHz, Acetone, experimental)

NP0002870

Decamethonium

Not Available

C₁₆H₃₈N₂

258.4863 Da
258.30350 Da

¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹H NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)
¹³C NMR Spectrum (1D, 500 MHz, D₂O, experimental)

NP0002869

cis-1,3-dichloropropene

Not Available

C₃H₄Cl₂

110.9700 Da
109.96901 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, experimental)

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