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

NP0332573

Triacyl myo-inositol I3:22(i4,i4,3-OH-i14)

Not Available

C₂₈H₅₀O₁₀

546.6980 Da
546.34040 Da

¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332572

Triacyl myo-inositol I3:22(i4,i4,(3R)-OH-n14)

Not Available

C₂₈H₅₀O₁₀

546.6980 Da
546.34040 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)

NP0332571

Triacyl myo-inositol I3:22(i4,i4,n14)

Not Available

C₂₈H₅₀O₉

530.6990 Da
530.34548 Da

¹H NMR Spectrum (1D, 800 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 201 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 801 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3CN, experimental)

NP0332570

1S,5S,7R,8R,3-exo,7-endo-(+)-9-deoxygoniopypyrone

Not Available

C₁₃H₁₄O₄

234.2510 Da
234.08921 Da

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

NP0332569

Goniofupyrone B

Not Available

C₁₃H₁₄O₄

234.2510 Da
234.08921 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 ]-HMQC 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)

NP0332568

3-epi-goniothalesdiol A

Not Available

C₁₄H₁₈O₅

266.2930 Da
266.11542 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 ]-HMBC 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)
[¹H , ¹H ]-COSY 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)

NP0332567

Goniolanceolatin A

Not Available

C₂₆H₂₆O₇

450.4870 Da
450.16785 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
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 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 , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)

NP0332566

(+)-Dexygoniopypyrone B

Not Available

C₁₃H₁₄O₄

234.2510 Da
234.08921 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
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 NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMQC 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)

NP0332564

Tetraacyl arabinosyl myo-inositol AI4:18(2,i4,i4,i8)

Not Available

C₂₉H₄₈O₁₄

620.6890 Da
620.30441 Da

¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332563

Triacyl myo-inositol I3:20(i4,i4,i12)

Not Available

C₂₆H₄₆O₉

502.6450 Da
502.31418 Da

¹H NMR Spectrum (1D, 600 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)

NP0332562

Triacyl myo-inositol I3:18(i4,i4,i10)

Not Available

C₂₄H₄₂O₉

474.5910 Da
474.28288 Da

¹H NMR Spectrum (1D, 500 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)

NP0332560

Stigmasta-7,22-dien-3β,5α,6α-triol

Not Available

C₂₈H₄₆O₃

430.6730 Da
430.34470 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332559

7, 7'-di-O-demethyl-3, 8'-bisiderin

Not Available

C₂₂H₁₈O₈

410.3780 Da
410.10017 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332558

8′-O-demethylnigerone

Not Available

C₃₁H₂₄O₁₀

556.5230 Da
556.13695 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332557

Ergosta-7,22-diene-3,5,6-triol,23-methyl-,(3β,5α,6β,22E)

Not Available

C₉H₁₀O₃

166.1760 Da
166.06299 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332556

5α,8α-epidioxy-23-methylergosta-6,22-dien-3β-ol

Not Available

C₂₈H₄₀O₂

408.6260 Da
408.30283 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332555

Desertorin B

Not Available

C₂₃H₂₀O₈

424.4050 Da
424.11582 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332554

Methyl 2-(4-hydroxyphenyl) acetate

Not Available

C₉H₉NO₄

195.1740 Da
195.05316 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332553

2-acetamino-3-hydroxy-benzoic acid

Not Available

C₉H₉NO₅

211.1730 Da
211.04807 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332552

15α-hydroxy-(22E,24R)-ergosta-3,5,8(14),22-tetraen-7-one

Not Available

C₂₈H₄₀O₂

408.6260 Da
408.30283 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332551

23-methylergosta-7,22-diene-3β,5α,6β-triol

Not Available

C₂₉H₄₈O₃

444.7000 Da
444.36035 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332550

5,5′-dimethyl-4,4′,7,7′-tetramethoxy-8,8′-bicoumarin

Not Available

C₂₄H₂₂O₈

438.4320 Da
438.13147 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

NP0332549

5-hydroxy-10-(5-hydroxy-8,10-dimethoxy-2-methyl-4-oxo-4H-naphtho[1,2-b]pyran-6-yl)- 6,8-dimethoxy-2-methyl

Not Available

C₃₂H₂₆O₁₀

570.5428 Da
570.15260 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332548

3β,15β-dihydroxyl-(22E, 24R)-ergosta-5,8(14),22-triene-7-one

Not Available

C₂₈H₄₂O₃

426.6410 Da
426.31340 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0332547

5α,8α-epidioxy-(22E,24 R)-ergosta-6,22-dien-3β-ol

Not Available

C₂₈H₄₄O₃

428.6570 Da
428.32905 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)

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