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

NP0331755

(3S,5S,8R,9S,10S,12S,13S,14R,17R,20R)-12β-O-4-hydroxyphenylacetyltenacigenin A

Not Available

C₂₉H₃₈O₇

498.6160 Da
498.26175 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331756

(3S,8S,9S,10R,11S,12S,13S,14R,17S)-11α,12β-acetonide-17β-marsdenin

Not Available

C₂₄H₃₆O₆

420.5460 Da
420.25119 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)

NP0331757

12β-O-acetyltenacigenin D

Not Available

C₂₃H₃₂O₆

404.5030 Da
404.21989 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331763

7-Hydroxycoumarin

Not Available

C₉H₆O₃

162.1440 Da
162.03169 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331764

2-Methyl-1,4-napthoquinone

Not Available

C₁₁H₈O₂

172.1800 Da
172.05243 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331765

n-Octyl β-D-glucopyranoside

Not Available

C₁₄H₂₈O₆

292.3685 Da
292.18859 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331766

Lignoceric acid

Not Available

C₂₄H₄₈O₂

368.6367 Da
368.36543 Da

¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331767

p-hydroxybenzaldehyde

Not Available

C₇H₆O₂

122.1213 Da
122.03678 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331768

Fimbricalyxinlignan A

Not Available

C₁₈H₁₈O₆

330.3360 Da
330.11034 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331769

Fimbricalyxinlignan B

Not Available

C₁₆H₁₆O₅

288.2990 Da
288.09977 Da

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

NP0331775

6-Benzylaminopurine

Not Available

C₁₂H₁₁N₅

225.2492 Da
225.10145 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331776

n-Decyl-beta-D-Glucopyranoside

Not Available

C₁₆H₃₂O₆

320.4260 Da
320.21989 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331778

pseudobulbiferamide C

Not Available

C₃₆H₄₉N₁₁O₁₀S

827.9200 Da
827.33846 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331779

pseudobulbiferamide A

Not Available

C₃₅H₄₇N₁₁O₁₀S

813.8900 Da
813.32281 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331780

pseudobulbiferamide B

Not Available

C₃₀H₃₉N₉O₈S

685.7600 Da
685.26423 Da

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

NP0331781

pseudobulbiferamide E

Not Available

C₁₄H₁₆N₂O₅

292.2910 Da
292.10592 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC 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 , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC 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 , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331782

2,4,6,9-tetrahydroxy-7-methyl-2-prenyl-1H-phenalene-1,3(2H)-dione

Not Available

C₁₉H₁₈O₆

342.3470 Da
342.11034 Da

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 ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331788

Glycylglycine

Not Available

C₄H₈N₂O₃

132.1179 Da
132.05349 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331789

2-Oxo-4-thiazolidine carboxylic acid

Not Available

C₄H₅NO₃S

147.1500 Da
146.99901 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331790

D(+)-Glucosamine Hydrochloride

Not Available

C₆H₁₄ClNO₅

215.6300 Da
215.05605 Da

¹³C NMR Spectrum (1D, 151 MHz, D₂O, simulated)
¹H NMR Spectrum (1D, 600 MHz, D₂O, simulated)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, D2O, experimental)
¹H NMR Spectrum (1D, 601 MHz, D2O, experimental)

NP0331791

Guanidinoacetic Acid

Not Available

C₃H₇N₃O₂

117.1066 Da
117.05383 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331792

D-(+)-Galactose

Not Available

C₆H₁₂O₆

180.1559 Da
180.06339 Da

¹H NMR Spectrum (1D, 601 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, D2O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, D2O, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, D2O, experimental)

NP0331793

Acetylsalisylic acid

Not Available

C₉H₈O₄

180.1574 Da
180.04226 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331794

stilbostemin B3'-O-β-D-glucopyranoside

Not Available

C₂₁H₂₆O₇

390.4320 Da
390.16785 Da

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

NP0331795

didehydrotuberostemonine A

Not Available

C₂₂H₂₇NO₄

369.4610 Da
369.19401 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

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