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

NP0331903

(+)-(6R,8S) thiomethyldiscorhabdin G*/I

Not Available

C₁₉H₁₆N₃O₂S₂

382.4800 Da
382.06785 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, simulated)
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)

NP0331904

(+)-(6S) N-13-demethyldiscorhabdin U

Not Available

C₁₉H₁₅BrN₃O₂S

429.3100 Da
428.00629 Da

¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, Methanol, simulated)
¹H NMR Spectrum (1D, 600 MHz, Methanol, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, Methanol, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331905

Pentanamide

Not Available

C₅H₁₁NO

101.1490 Da
101.08406 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331906

(+)-(6S) sulphonyl-7,8-dehydrodiscorhabdin E

Not Available

C₁₈H₁₃BrN₃O₅S

463.2800 Da
461.97538 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, DMSO, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, 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)

NP0331907

Acetomenaphthone

Not Available

C₁₅H₁₄O₄

258.2693 Da
258.08921 Da

¹³C NMR Spectrum (1D, 201 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331908

Cassiastearoptene

Not Available

C₁₀H₁₀O₂

162.1852 Da
162.06808 Da

¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331909

Chrysanthemumside B

Not Available

C₂₁H₂₇NO₉

437.4450 Da
437.16858 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)

NP0331910

Chrysanthemumside A

Not Available

C₁₉H₂₅NO₁₀

427.4060 Da
427.14785 Da

¹H NMR Spectrum (1D, 500.11, CD₃OD, simulated)

NP0331911

Abundisporin E

Not Available

C₁₅H₁₈O₄

262.3050 Da
262.12051 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0331912

Abundisporin C

Not Available

C₁₄H₂₂O₄

254.3260 Da
254.15181 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0331913

Abundisporin G

Not Available

C₁₆H₂₂O₆

310.3460 Da
310.14164 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0331914

Abundisporin D

Not Available

C₁₄H₂₀O₅

268.3090 Da
268.13107 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0331915

Abundisporin A

Not Available

C₁₅H₂₂O₄

266.3370 Da
266.15181 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0331916

Abundisporin H

Not Available

C₁₅H₁₈O₅

278.3040 Da
278.11542 Da

¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 701 MHz, CD3OD, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0331917

Abundisporin B

Not Available

C₁₄H₂₀O₅

268.3090 Da
268.13107 Da

¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0331918

Abundisporin F

Not Available

C₁₅H₂₂O₄

266.3370 Da
266.15181 Da

[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-FAILED_TO_DETECT NMR Spectrum (1D, 701 MHz, CD3OD, experimental)

NP0331919

Aridacin B

Not Available

C₂₀H₃₀O₅

350.4550 Da
350.20932 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)
[¹H , ¹H ]-COSY 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 ]-ROESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331920

Aridacin A

Not Available

C₂₀H₃₀O₄

334.4560 Da
334.21441 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
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 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400.132470802, CD₃OD, simulated)
¹H 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 , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331921

Aridacin C

Not Available

C₂₀H₃₀O₅

350.4550 Da
350.20932 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 , ¹H ]-ROESY NMR Spectrum (1D, 401 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)

NP0331922

14-methyl-discorhabdin C

Not Available

C₁₉H₁₆Br₂N₃O₂

478.1630 Da
475.96038 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, DMSO, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, 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)

NP0331923

7,8-dehydrodiscorhabdin C

Not Available

C₁₈H₁₂Br₂N₃O₂

462.1200 Da
459.92908 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 600 MHz, DMSO, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, simulated)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, DMSO, 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)

NP0331924

didebromodiscorhabdin C

Not Available

C₁₈H₁₆N₃O₂

306.3440 Da
306.12370 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, DMSO, 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)

NP0331925

(+)-(6S)-discorhabdin E

Not Available

C₁₈H₁₅BrN₃O₂

385.2400 Da
384.03422 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600.314502325, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331926

Not named

Not Available

C₁₈H₂₃NO₃

301.3860 Da
301.16779 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY 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 ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 600 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)

NP0331927

Propioveratrone

Not Available

C₁₁H₁₄O₃

194.2300 Da
194.09429 Da

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

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