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

NP0333137

Sacrone B

Not Available

C₂₀H₂₈O₃

316.4410 Da
316.20384 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333138

Valhidepsin A

Not Available

C₄₀H₆₆N₈O₈

787.0160 Da
786.50036 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0333139

Valhidepsin B

Not Available

C₄₀H₆₈N₈O₉

805.0310 Da
804.51093 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0333140

Valhidepsin C

Not Available

C₃₈H₆₄N₈O₈

760.9780 Da
760.48471 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0333141

Valhidepsin D

Not Available

C₃₈H₆₆N₈O₉

778.9930 Da
778.49528 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0333142

Hericenone O

Not Available

C₃₇H₅₄O₆

594.8330 Da
594.39204 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0333143

Hericenone P

Not Available

C₃₅H₅₄O₆

570.8110 Da
570.39204 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0333144

Hericenone Q

Not Available

C₃₇H₅₈O₆

598.8650 Da
598.42334 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0333145

Hericenone R

Not Available

C₃₇H₅₆O₆

596.8490 Da
596.40769 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0333146

Eugeniifoline

Not Available

C₂₁H₂₄N₂O₃

352.4340 Da
352.17869 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333147

Millefolacton B2

Not Available

C₂₀H₂₇ClO₇

414.8800 Da
414.14453 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333148

Millefolacton B5

Not Available

C₂₀H₂₇ClO₇

414.8800 Da
414.14453 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333149

Millefolacton B8

Not Available

C₂₀H₂₇ClO₇

414.8800 Da
414.14453 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333150

Millefolacton B9

Not Available

C₂₀H₂₇ClO₇

414.8800 Da
414.14453 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333151

Raufiayunesin A

Not Available

C₂₁H₂₄N₂O₄

368.4330 Da
368.17361 Da

¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333152

Raufiayunesin B

Not Available

C₂₀H₂₂N₂O₄

354.4060 Da
354.15796 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0333153

Raufiayunesin C

Not Available

C₂₂H₂₈N₂O₅

400.4750 Da
400.19982 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0333157

7-Butyl-6,8-dihydroxy-3(R)-pent-9,11-dienylisochroman-1-one

Not Available

C₁₈H₂₂O₄

302.3700 Da
302.15181 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)

NP0333158

Persicamidine C

Not Available

C₄₇H₇₄N₂O₁₀

827.1130 Da
826.53435 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0333159

Persicamidine E

Not Available

C₄₄H₆₈N₂O₁₀

785.0320 Da
784.48740 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-MLEV NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0333160

Cannabifolin G

Not Available

C₂₅H₂₈O₁₀

488.4890 Da
488.16825 Da

¹H NMR Spectrum (1D, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0333161

Cannabifolin H

Not Available

C₂₃H₂₆O₁₀

462.4510 Da
462.15260 Da

¹H NMR Spectrum (1D, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)

NP0333162

Cannabifolin I

Not Available

C₂₁H₂₂O₁₁

450.3960 Da
450.11621 Da

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

NP0333163

Cannabifolin J

Not Available

C₂₃H₂₈O₁₀

464.4670 Da
464.16825 Da

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

NP0333164

1,2-di-(4-hydroxybenzoyl)-β-glucopyranose

Not Available

C₂₃H₂₉O₁₀

465.4750 Da
465.17607 Da

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

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