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

NP0331620

Jatropolone B

Not Available

C₂₀H₂₄O₂

296.4100 Da
296.17763 Da

¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0331622

Jatrophenediol

Not Available

C₁₅H₂₆O₂

238.3710 Da
238.19328 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 176 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, CDCl3, experimental)

NP0331623

3,5-dibromo-2-(3′,4′,5′-tribromo-2′-hydroxyphenoxy)phenol

Not Available

C₁₂H₅Br₅O₃

596.6890 Da
591.61556 Da

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

NP0331624

3,5-dibromo-2-(3′,5′-dibromo-2′-hydroxyphenoxy)phenol

Not Available

C₁₂H₆Br₄O₃

517.7930 Da
513.70505 Da

¹H NMR Spectrum (1D, 601 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331625

3,5-dibromo-2-(3′,5′-dibromo-2′-hydroxyphenoxy)anisole

Not Available

C₁₃H₈Br₄O₃

531.8200 Da
527.72070 Da

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

NP0331626

3,4,5-tribromo-2-(3′,5′-dibromo-2′-hydroxyphenoxy)anisole

Not Available

C₁₃H₇Br₅O₃

610.7160 Da
605.63121 Da

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

NP0331627

3,4,5-tribromo-2-(3′,5′-dibromo-2′-hydroxyphenoxy)phenol

Not Available

C₁₂H₅Br₅O₃

596.6890 Da
591.61556 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331628

3,4,5,6-tetrabromo-2-(3′,5′-dibromo-2′-hydroxyphenoxy)phenol

Not Available

C₁₂H₄Br₆O₃

675.5850 Da
669.52607 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)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)

NP0331629

panepocyclinol A

Not Available

C₂₂H₂₅ClO₆

420.8900 Da
420.13397 Da

¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 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)
¹³C NMR Spectrum (1D, 151 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)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 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)

NP0331630

(−)-Pleionol

Not Available

C₂₃H₂₂O₅

378.4240 Da
378.14672 Da

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

NP0331631

(±)-Blestanol K

Not Available

C₂₉H₂₆O₅

454.5220 Da
454.17802 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
[¹H , ¹H ]-NOESY 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 , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331632

Isoarundinin I

Not Available

C₂₂H₂₂O₄

350.4140 Da
350.15181 Da

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

NP0331633

(−)-Bleochrin F

Not Available

C₂₂H₂₀O₄

348.3980 Da
348.13616 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3CN, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3CN, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3CN, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3CN, experimental)

NP0331634

Metaplexigenin 3-O-α-L-cymaropyranosyl-β-D-cymaropyranosyl-(1→4)-α-L-diginopyranosyl-β-D-cymaropyranoside

Not Available

C₅₁H₈₂O₁₉

999.1980 Da
998.54503 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400.132470802, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331635

Kidjoranin 3-O-β-D-cymaropyranosyl-(1 →4)-α-L-diginopyranosyl-(1→4)-β-D-cymaropyranoside

Not Available

C₅₁H₇₄O₁₆

943.1370 Da
942.49769 Da

¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 600.035880294, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331636

Kidjoranin 3-O-α-L-diginopyranosyl-(1→4)-β-D-cymaropyranoside

Not Available

C₄₄H₆₂O₁₃

798.9670 Da
798.41904 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400.132470802, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)

NP0331637

Metaplexigenin 3-O-β-D-cymaropyranosyl-(1→4)-α-L-diginopyranosyl-(1→4)-β-D-cymaropyranoside

Not Available

C₄₄H₇₀O₁₆

855.0280 Da
854.46639 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400.132470802, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY 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)

NP0331638

Metaplexigenin 3-O-α-L-diginopyranosyl-(1→4)-β-D-cymaropyranoside

Not Available

C₃₇H₅₈O₁₃

710.8580 Da
710.38774 Da

¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 400.132470802, C5D5deposition_typeN, simulated)
¹H NMR Spectrum (1D, 401 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
[¹H , ¹H ]-ROESY 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)

NP0331639

Punctaporonin T

Not Available

C₁₉H₂₆O₆

350.4110 Da
350.17294 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331640

Punctaporonin U

Not Available

C₁₅H₁₉O₃

247.3140 Da
247.13342 Da

¹H NMR Spectrum (1D, 700 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)

NP0331641

Tolypocaibol B

Not Available

C₆₇H₁₁₂N₁₄O₁₅

1353.7160 Da
1352.84316 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)

NP0331642

Tolypocaibol A

Not Available

C₆₆H₁₁₀N₁₄O₁₅

1339.6890 Da
1338.82751 Da

¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 701 MHz, C2D6OS, experimental)

NP0331643

(−)-Cryptanoside A

Not Available

C₃₀H₄₂O₁₀

562.6560 Da
562.27780 Da

¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 700 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 177 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 700 MHz, CDCl3, experimental)