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

NP0332493

Heilonine B

Not Available

C₂₇H₃₉NO₂

409.6140 Da
409.29808 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332494

puqiedinone-β-N-oxide

Not Available

C₂₇H₄₃NO₃

429.6450 Da
429.32429 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332495

sinicanone B-3-O--D-glucopyranoside

Not Available

C₃₃H₅₃NO₇

575.7870 Da
575.38220 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332496

sinicanone A

Not Available

C₂₇H₄₃NO₂

413.6460 Da
413.32938 Da

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

NP0332497

sinicanone B

Not Available

C₂₇H₄₃NO₂

413.6460 Da
413.32938 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0332498

Heilonine A

Not Available

C₂₇H₃₉NO₂

409.6140 Da
409.29808 Da

¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332499

Retinestatin

Not Available

C₂₅H₄₀O₁₂

532.5830 Da
532.25198 Da

[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 202 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 801 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 801 MHz, CD3OD, experimental)

NP0332500

clerodendranthin G

Not Available

C₂₀H₂₈O₆

364.4380 Da
364.18859 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 501 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CD3OD, experimental)

NP0332501

jugione B

Not Available

C₃₉H₃₄O₁₃

710.6880 Da
710.19994 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 151 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC 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)
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)

NP0332502

jugione C

Not Available

C₃₉H₃₆O₁₄

728.7030 Da
728.21051 Da

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

NP0332503

jugione D

Not Available

C₄₀H₃₈O₁₄

742.7300 Da
742.22616 Da

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

NP0332504

jugione A

Not Available

C₃₉H₃₄O₁₃

710.6880 Da
710.19994 Da

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

NP0332505

Rubescin K

Not Available

C₃₃H₃₅ClO₈

595.0900 Da
594.20205 Da

[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
¹H 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 , ¹³C ]-HMQC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332506

Rubescin N

Not Available

C₂₆H₃₀O₇

454.5190 Da
454.19915 Da

[¹H , ¹H ]-COSY 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 , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332507

Rubescin L

Not Available

C₃₁H₃₇ClO₈

573.0800 Da
572.21770 Da

¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)
[¹H , ¹H ]-NOESY 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 , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332508

Rubescin Q

Not Available

C₂₆H₂₈O₇

452.5030 Da
452.18350 Da

[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
¹H 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)
¹³C NMR Spectrum (1D, 151 MHz, CDCL3, experimental)

NP0332509

2,3-Epoxyrubescin H

Not Available

C₂₆H₂₈O₆

436.5040 Da
436.18859 Da

[¹H , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMQC 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)

NP0332510

Rubescin O

Not Available

C₃₃H₃₄O₇

542.6280 Da
542.23045 Da

[¹H , ¹³C ]-HMQC 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 NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332511

Rubescin R

Not Available

C₂₆H₃₀O₆

438.5200 Da
438.20424 Da

[¹H , ¹H ]-COSY 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)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMQC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332512

Rubescin M

Not Available

C₃₅H₃₇ClO₈

621.1200 Da
620.21770 Da

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 ]-NOESY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
¹H NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332513

Rubescin P

Not Available

C₂₈H₃₄O₆

466.5740 Da
466.23554 Da

[¹H , ¹³C ]-HMQC 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 , ¹H ]-NOESY NMR Spectrum (1D, 601 MHz, CDCL3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, CDCL3, experimental)

NP0332515

Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8)

Not Available

C₂₇H₄₆O₁₃

578.6520 Da
578.29384 Da

¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)

NP0332516

Penicilliode D

Not Available

C₁₁H₁₄O₃

194.2300 Da
194.09429 Da

¹H NMR Spectrum (1D, 400, CDCl₃, simulated)

NP0332517

Brevicidine B

Not Available

C₇₄H₁₀₆N₁₈O₁₆

1503.7720 Da
1502.80342 Da

¹H NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-TOCSY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹H ]-HSQC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)

NP0332518

(+)-11-chloromelodinine E

Not Available

C₁₉H₁₉ClN₂O₂

342.8200 Da
342.11351 Da

¹H NMR Spectrum (1D, 400 MHz, C3D6O, simulated)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, simulated)
¹H NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)
¹³C NMR Spectrum (1D, 101 MHz, C3D6O, experimental)

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