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

NP0332107

prenylemestrin E

Not Available

C₃₂H₃₂N₂O₁₁S₂

684.7300 Da
684.14475 Da

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 , ¹H ]-NOESY 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)

NP0332108

prenylemestrin C

Not Available

C₃₂H₃₂N₂O₁₁S₂

684.7300 Da
684.14475 Da

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)

NP0332109

prenylemestrin F

Not Available

C₃₂H₃₂N₂O₁₁S₂

684.7300 Da
684.14475 Da

¹H 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 , ¹³C ]-HMBC 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)

NP0332110

prenylemestrin G

Not Available

C₃₂H₃₂N₂O₁₁S₂

684.7300 Da
684.14475 Da

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

NP0332111

prenylemestrin D

Not Available

C₃₂H₃₂N₂O₁₁S₂

684.7300 Da
684.14475 Da

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 , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332112

Phomalone C

Not Available

C₁₇H₂₂O₃

274.3600 Da
274.15689 Da

¹³C NMR Spectrum (1D, 177 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0332113

Phomalone B

Not Available

C₁₀H₁₆O₄

200.2340 Da
200.10486 Da

¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332114

Phomalone A

Not Available

C₁₀H₁₂O₄

196.2020 Da
196.07356 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332115

Phomalone D

Not Available

C₁₄H₁₈O₅

266.2930 Da
266.11542 Da

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

NP0332116

4-homoectoine

Not Available

C₇H₁₂N₂O₂

156.1850 Da
156.08988 Da

¹H NMR Spectrum (1D, 501 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 126 MHz, D2O, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, D2O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, D2O, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, D2O, experimental)

NP0332117

hyperadaman A

Not Available

C₃₃H₃₈O₆

530.6610 Da
530.26684 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332118

hyperadaman B

Not Available

C₃₃H₄₀O₆

532.6770 Da
532.28249 Da

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

NP0332119

hyperadaman C

Not Available

C₃₃H₄₀O₆

532.6770 Da
532.28249 Da

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

NP0332120

maritiamide B

Not Available

C₄₂H₆₃N₇O₇

778.0080 Da
777.47890 Da

[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 227 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)

NP0332121

maritiamide A

Not Available

C₄₁H₆₁N₇O₇

763.9810 Da
763.46325 Da

¹H NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 227 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 901 MHz, CD3OD, experimental)

NP0332122

Maydistacin A

Not Available

C₂₅H₃₆O₄

400.5590 Da
400.26136 Da

NP0332123

5’-Methoxyarmillane

Not Available

C₂₄H₃₄O₇

434.5290 Da
434.23045 Da

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

NP0332129

3β,11α,12,21β-tetrahydroxy-22-oxours-12-en-24-oic acid methyl ester

Not Available

C₃₁H₄₈O₇

532.7180 Da
532.34000 Da

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

NP0332136

11α-methoxy-3β,12-dihydroxyurs-12-en-23-oic acid methyl ester

Not Available

C₃₂H₅₂O₅

516.7630 Da
516.38147 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0332138

11α-methoxy-3β,12,21β-trihydroxy-22-oxours-12-en-24-oic acid methyl ester

Not Available

C₃₂H₅₀O₇

546.7450 Da
546.35565 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 500 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0332144

(aR,7S)- and (aS,7S)-7-dehydroxy-di-O-10-methyl-13-acetylprotosappanin B

Not Available

C₃₈H₄₀O₁₂

688.7260 Da
688.25198 Da

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

NP0332145

(S,Z)-6-Ethoxy-2-ethylidene-4-hydroxyadipic acid

Not Available

C₁₀H₁₆O₅

216.2330 Da
216.09977 Da

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

NP0332146

(aR,7R)- and (aS,7R)-7-dehydroxy-10,11-di-O-methylprotosappanin B

Not Available

C₃₆H₄₀O₁₀

632.7060 Da
632.26215 Da

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

NP0332147

9-O-Ethylmimosoidsone A

Not Available

C₁₉H₁₈O₅

326.3480 Da
326.11542 Da

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

NP0332148

(aR,7S)- and (aS,7S)-7-dehydroxy-13-O-acetylprotosappanin B

Not Available

C₃₆H₃₆O₁₂

660.6720 Da
660.22068 Da

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

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