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

NP0350649

ethyl lecanoate

Not Available

C₁₈H₁₈O₇

346.3350 Da
346.10525 Da

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

NP0350648

3-formyl lecanorin

Not Available

C₁₆H₁₄O₆

302.2820 Da
302.07904 Da

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

NP0350647

lethardiphenylmethane E

Not Available

C₁₇H₁₈O₆

318.3250 Da
318.11034 Da

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

NP0350646

lethardiphenylmethane D

Not Available

C₂₀H₂₂O₈

390.3880 Da
390.13147 Da

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

NP0350645

lethardiphenylmethane C

Not Available

C₂₁H₂₄O₈

404.4150 Da
404.14712 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0350644

lethardiphenylmethane B

Not Available

C₂₀H₂₂O₈

390.3880 Da
390.13147 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)

NP0350643

lethardiphenylmethane A

Not Available

C₂₁H₂₄O₈

404.4150 Da
404.14712 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)

NP0350642

Flavoaffinin 449

Not Available

C₂₉H₂₃NO₄

449.5060 Da
449.16271 Da

¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0350641

Flavoaffinin 407

Not Available

C₂₇H₂₁NO₃

407.4690 Da
407.15214 Da

¹H NMR Spectrum (1D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental)

NP0350640

Contignasterine B

Not Available

C₃₂H₅₂N₃O₆

574.7820 Da
574.38506 Da

[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350639

Contignasterine A

Not Available

C₃₂H₅₂N₃O₉P

653.7540 Da
653.34412 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0350638

N-AcCys-ansatrienin B

Not Available

C₄₁H₅₇N₃O₁₁S

799.9800 Da
799.37138 Da

¹H NMR Spectrum (1D, 600.132933733, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0350637

N-AcCys-ansatrienin 3a

Not Available

C₃₉H₅₅N₃O₁₁S

773.9400 Da
773.35573 Da

¹H NMR Spectrum (1D, 500.071986512, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)

NP0350636

trienomycin O

Not Available

C₃₄H₄₆N₂O₇

594.7490 Da
594.33050 Da

¹H NMR Spectrum (1D, 600, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350635

trienomycin N

Not Available

C₃₆H₅₀N₂O₇

622.8030 Da
622.36180 Da

¹H NMR Spectrum (1D, 599.771213707, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)

NP0350634

trienomycin M

Not Available

C₃₆H₅₀N₂O₈

638.8020 Da
638.35672 Da

¹H NMR Spectrum (1D, 500.19300114, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)
[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)

NP0350633

Euphpepluone S

Not Available

C₂₅H₃₄O₆

430.5410 Da
430.23554 Da

¹H NMR Spectrum (1D, 600, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350632

Euphpepluone R

Not Available

C₂₅H₃₄O₆

430.5410 Da
430.23554 Da

¹H NMR Spectrum (1D, 600, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)

NP0350631

Pinoresinol-4, 4'-di-O-β-D-xylopyranoside

Not Available

C₃₀H₃₈O₁₄

622.6200 Da
622.22616 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350630

Pinoresinol-4-O-β-D-xylopyranoside

Not Available

C₂₅H₃₀O₁₀

490.5050 Da
490.18390 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350629

Wrightioside K

Not Available

C₁₇H₂₄O₈

356.3710 Da
356.14712 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350628

Wrightioside J

Not Available

C₂₀H₃₀O₁₀

430.4500 Da
430.18390 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 400 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350627

Wrightioside I

Not Available

C₁₇H₂₄O₈

356.3710 Da
356.14712 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350626

Wrightioside H

Not Available

C₁₆H₂₂O₇

326.3450 Da
326.13655 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

NP0350625

Wrightioside G

Not Available

C₁₄H₁₈O₈

314.2900 Da
314.10017 Da

¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)
[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)

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