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

NP0332599

Acremoside F

Not Available

C₃₀H₄₆O₁₀

566.6880 Da
566.30910 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332600

Acremoside C

Not Available

C₂₉H₄₆O₉

538.6780 Da
538.31418 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332601

Acremoside B

Not Available

C₃₀H₄₈O₁₀

568.7040 Da
568.32475 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332602

Acremoside G

Not Available

C₂₉H₄₄O₁₀

552.6610 Da
552.29345 Da

¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)

NP0332603

3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate

Not Available

C₃₀H₅₀O₅

490.7250 Da
490.36582 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332605

3β-hydroxy-20-oxo-21,22-seco-30-nortaraxastan-22-oic acid

Not Available

C₂₉H₄₈O₄

460.6990 Da
460.35526 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332606

3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid

Not Available

C₂₇H₄₄O₄

432.6450 Da
432.32396 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332607

3β-hydroxy-19-oxo-20,21-seco-29,30-nortaraxastan-21-oic acid

Not Available

C₂₈H₄₆O₄

446.6720 Da
446.33961 Da

¹³C NMR Spectrum (1D, 126 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0332608

Noducyclamide A1

Not Available

C₅₈H₉₃N₁₁O₁₅

1184.4440 Da
1183.68526 Da

[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332609

Noducyclamide A2

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332610

Noducyclamide A3

Not Available

C₅₈H₉₃N₁₁O₁₄

1168.4450 Da
1167.69035 Da

[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332611

Noducyclamide A4

Not Available

C₅₈H₉₃N₁₁O₁₃

1152.4460 Da
1151.69543 Da

[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332612

Noducyclamide B1

Not Available

C₆₄H₁₁₂N₁₄O₁₉

1381.6790 Da
1380.82282 Da

[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332613

Noducyclamide B2

Not Available

C₆₄H₁₁₂N₁₄O₁₈

1365.6800 Da
1364.82790 Da

[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332614

(3β, 6β)-urs-12-ene-3,6-diol

Not Available

C₃₀H₅₀O₂

442.7280 Da
442.38108 Da

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

NP0332622

Pepticinnamin N

Not Available

C₄₉H₅₅N₅O₁₀

874.0040 Da
873.39489 Da

¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332623

Pepticinnamin O

Not Available

C₄₄H₄₈ClN₃O₈

782.3300 Da
781.31299 Da

¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332624

Pepticinnamin P

Not Available

C₄₄H₄₉N₃O₈

747.8890 Da
747.35197 Da

¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-H2BC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332683

Anthoteibinene A

Not Available

C₁₉H₂₇NO

285.4310 Da
285.20926 Da

¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)
¹³C NMR Spectrum (1D, 126 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)

NP0332684

Anthoteibinene B

Not Available

C₁₈H₂₅NO₂

287.4030 Da
287.18853 Da

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

NP0332685

Anthoteibinene C

Not Available

C₁₈H₂₅NO

271.4040 Da
271.19361 Da

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

NP0332686

Anthoteibinene D

Not Available

C₁₈H₂₇NO₃

305.4180 Da
305.19909 Da

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

NP0332687

Anthoteibinene E

Not Available

C₁₇H₂₅NO₃

291.3910 Da
291.18344 Da

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

NP0332688

Anthoteibinene F

Not Available

C₁₅H₂₀O₃

248.3220 Da
248.14124 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)

NP0332689

Anthoteibinene G

Not Available

C₁₆H₂₂O₃

262.3490 Da
262.15689 Da

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

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