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

NP0332015

Alstoboonine

Not Available

C₁₉H₂₁N₂O₄

341.3860 Da
341.14958 Da

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 NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332016

Akunolide B (S)-MTPA ester at C-9

Not Available

C₄₆H₆₇F₃O₁₂

869.0250 Da
868.45846 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332017

Reducted akunolide A and B

Not Available

C₃₆H₆₆O₁₀

658.9140 Da
658.46560 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332019

Akunolide C

Not Available

C₃₅H₅₈O₁₀

638.8390 Da
638.40300 Da

[¹H , ¹H ]-NOESY NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 392 MHz, CD3OD, experimental)

NP0332020

Akunolide D

Not Available

C₃₅H₆₀O₁₀

640.8550 Da
640.41865 Da

¹³C NMR Spectrum (1D, 99 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332021

Akunolide B bis-(S)-MTPA ester at C-9 and C-2'

Not Available

C₅₆H₇₄F₆O₁₄

1085.1840 Da
1084.49828 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332023

Akunolide B

Not Available

C₃₆H₆₀O₁₀

652.8660 Da
652.41865 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 99 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 392 MHz, CD3OD, experimental)

NP0332024

Akunolide A

Not Available

C₃₆H₅₈O₁₀

650.8500 Da
650.40300 Da

¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 396 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 100 MHz, CD3OD, experimental)

NP0332025

Akunolide B (R)-MTPA ester at C-9

Not Available

C₄₆H₆₇F₃O₁₂

869.0250 Da
868.45846 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332026

Akunolide B bis-(R)-MTPA ester at C-9 and C-2'

Not Available

C₅₆H₇₄F₆O₁₄

1085.1840 Da
1084.49828 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 392 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 396 MHz, CD3OD, experimental)

NP0332027

Ligureside E

Not Available

C₂₆H₃₄O₁₂

538.5460 Da
538.20503 Da

¹H NMR Spectrum (1D, 400, CD₃OD, simulated)

NP0332029

Ligureside B

Not Available

C₄₈H₆₄O₂₇

1073.0130 Da
1072.36350 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332030

Ligureside D

Not Available

C₃₁H₄₂O₁₇

686.6600 Da
686.24220 Da

¹H NMR Spectrum (1D, 500, CD₃OD, simulated)

NP0332031

Ligureside F

Not Available

C₄₈H₆₄O₂₇

1073.0130 Da
1072.36350 Da

¹H NMR Spectrum (1D, 500, CD₃OD, simulated)

NP0332032

Ligureside C

Not Available

C₃₁H₄₂O₁₇

686.6600 Da
686.24220 Da

¹H NMR Spectrum (1D, 300, CD₃OD, simulated)

NP0332033

Ligureside G

Not Available

C₄₈H₆₄O₂₇

1073.0130 Da
1072.36350 Da

¹H NMR Spectrum (1D, 500, CD₃OD, simulated)

NP0332034

Ligureside A

Not Available

C₄₈H₆₄O₂₇

1073.0130 Da
1072.36350 Da

¹H NMR Spectrum (1D, 600, CD₃OD, simulated)

NP0332035

Spirobistetrodecamycin A

Not Available

C₃₆H₄₄O₁₂

668.7360 Da
668.28328 Da

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

NP0332036

Spirobistetrodecamycin B

Not Available

C₃₆H₄₄O₁₂

668.7360 Da
668.28328 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H 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 ]-ROESY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332037

8-epi-euonymine

Not Available

C₃₈H₄₇NO₁₈

805.7830 Da
805.27931 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 , 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)

NP0332038

Maytenoid D

Not Available

C₄₂H₄₆N₂O₁₉

882.8250 Da
882.26948 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)
[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)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0332039

Maytenoid E

Not Available

C₄₁H₄₉NO₁₉

859.8310 Da
859.28988 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 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 ]-COSY NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0332040

Maytenoid A

Not Available

C₄₃H₅₃NO₂₀

903.8840 Da
903.31609 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 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 ]-COSY NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0332041

Maytenoid F

Not Available

C₃₉H₄₇NO₁₈

817.7940 Da
817.27931 Da

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

NP0332042

Maytenoid H

Not Available

C₄₃H₅₃NO₂₀

903.8840 Da
903.31609 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

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