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

NP0331727

trans-ferulic acid-4-O-β-glucoside/lavandoside

Not Available

C₁₆H₂₀O₉

356.3246 Da
356.11073 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY 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)

NP0331728

Benzoic acid, 2-[[2-(β-D-glucopyranosyloxy)-5-hydroxybenzoyl] amino]-4-hydroxy-3-methoxy-, methyl ester

Not Available

C₂₂H₂₅NO₁₂

495.4370 Da
495.13768 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331729

2-[[2-(β-D-glucopyranosyloxy)-5-hydroxybenzoyl] amino]-5-hydroxy-, methyl ester

Not Available

C₂₁H₂₃NO₁₁

465.4110 Da
465.12711 Da

¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
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)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹H 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 , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331730

3-Hydroxy-4-methoxycinnamic acid

Not Available

C₁₀H₁₀O₄

194.1840 Da
194.05791 Da

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

NP0331731

D-Glucuronic acid lactone

Not Available

C₆H₈O₆

176.1241 Da
176.03209 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, D2O, experimental)

NP0331732

n-Tricosanoic acid

Not Available

C₂₃H₄₆O₂

354.6101 Da
354.34978 Da

¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, D2O, experimental)

NP0331733

n-Tridecanoic acid

Not Available

C₁₃H₂₆O₂

214.3443 Da
214.19328 Da

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

NP0331734

Behenyl Alcohol

Not Available

C₂₂H₄₆O

326.6000 Da
326.35487 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0331735

n-Undecanoic acid

Not Available

C₁₁H₂₂O₂

186.2912 Da
186.16198 Da

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

NP0331736

phomactinine

Not Available

C₂₀H₂₉NO₃

331.4560 Da
331.21474 Da

¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)

NP0331739

D-Trehalose

Not Available

C₁₂H₂₂O₁₁

342.2965 Da
342.11621 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331741

5,7,30 ,40 -tetrahydroxy-6,8-diprenylisoflavone

Not Available

C₂₅H₂₆O₆

422.4770 Da
422.17294 Da

¹H NMR Spectrum (1D, 500 MHz, C3D6O, experimental)

NP0331742

Tenaciside P

Not Available

C₄₄H₆₀O₁₄

812.9500 Da
812.39831 Da

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

NP0331743

Tenaciside N

Not Available

C₄₇H₆₄O₁₄

853.0150 Da
852.42961 Da

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

NP0331744

Tenaciside O

Not Available

C₄₄H₆₂O₁₄

814.9660 Da
814.41396 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331745

(3S,8S,9S,10R,11S,12S,13S,14R,17S)-Δ5-3β,8β,14β-trihydroxy-11α-O-tigloyl-12β-O-benzoylpregnane

Not Available

C₃₃H₄₂O₈

566.6910 Da
566.28797 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331746

12β-O-tigloyltenacigenin D

Not Available

C₂₆H₃₆O₆

444.5680 Da
444.25119 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H 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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331747

Δ5-3β,8β,11α,14α-tetrahydroxy-12β-O-benzoylpregnane

Not Available

C₂₈H₃₆O₇

484.5890 Da
484.24610 Da

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

NP0331748

(3S,8S,9S,10R,11S,12S,13S,14R,17R,20R)-11α-O-tigloyl-17α-marsectohexol

Not Available

C₂₆H₄₀O₇

464.5990 Da
464.27740 Da

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

NP0331749

(3S,8S,9S,10R,11S,12S,13S,14R,17R,20R)-11α-O-benzoyl-17α-marsectohexol

Not Available

C₂₈H₃₈O₇

486.6050 Da
486.26175 Da

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, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 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)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0331750

12β-O-benzoyltenacigenin D

Not Available

C₂₈H₃₄O₆

466.5740 Da
466.23554 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹H 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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331751

(3S,5S,8R,9S,10S,12S,13S,14R,17R,20R)-12β-O-phenylacetyltenacigenin A

Not Available

C₂₉H₃₈O₆

482.6170 Da
482.26684 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331752

12β-O-2-methylbutyryltenacigenin D

Not Available

C₂₆H₃₈O₆

446.5840 Da
446.26684 Da

¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
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 ]-NOESY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331753

12β-O-4-hydroxyphenylacetyltenacigenin D

Not Available

C₂₉H₃₆O₇

496.6000 Da
496.24610 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, C5D5N, experimental)

NP0331754

Tenacigenin D

Not Available

C₂₁H₃₀O₅

362.4660 Da
362.20932 Da

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

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