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

NP0331753

12β-O-4-hydroxyphenylacetyltenacigenin D

Not Available

C₂₉H₃₆O₇

496.6000 Da
496.24610 Da

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, C5D5deposition_typeN, simulated)
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 , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)

NP0331754

Tenacigenin D

Not Available

C₂₁H₃₀O₅

362.4660 Da
362.20932 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, 400, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

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, 400, 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)
¹³C NMR Spectrum (1D, 101 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, 400, C5D5deposition_typeN, 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)
¹³C NMR Spectrum (1D, 101 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, 400, 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)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0331758

Penicopeptide A

Not Available

C₃₄H₃₂N₄O₄

560.6540 Da
560.24236 Da

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

NP0331759

Versicomide H

Not Available

C₁₉H₂₃N₃O₃

341.4110 Da
341.17394 Da

¹H NMR Spectrum (1D, 500, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0331760

7-methoxydehydrocyclopeptin

Not Available

C₁₈H₁₆N₂O₃

308.3370 Da
308.11609 Da

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

NP0331761

Aspergilpeptide A

Not Available

C₃₆H₃₆N₄O₆

620.7060 Da
620.26348 Da

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

NP0331762

Versicomide G

Not Available

C₁₉H₂₅N₃O₄

359.4260 Da
359.18451 Da

¹H NMR Spectrum (1D, 500, C2D6OS, simulated)
¹H NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C2D6OS, 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)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 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)

NP0331770

Isocampheren-9-ene-10-ethylone

Not Available

C₁₄H₂₂O₂

222.3280 Da
222.16198 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331771

10-methyl-isocampheren-10-ene-11-acid

Not Available

C₁₅H₂₄O₃

252.3540 Da
252.17254 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0331772

10-hydroxy-isocampheren-11-ene

Not Available

C₁₅H₂₆O₂

238.3710 Da
238.19328 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0331773

(6 S,7E)− 6-hydroxy-4,7-megastigmadien-3,9-dione (S(+)-dehydrovomifoliol)

Not Available

C₁₃H₁₈O₃

222.2840 Da
222.12559 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)

NP0331774

Punicaone

Not Available

C₃₀H₄₄O₄

468.6780 Da
468.32396 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, 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)

NP0331777

N,N-Dimethylglycine

Not Available

C₄H₉NO₂

103.1198 Da
103.06333 Da

¹H NMR Spectrum (1D, 600.133705802, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

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