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

NP0332887

Asperustin B

Not Available

C₂₁H₁₇ClO₈

432.8100 Da
432.06120 Da

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

NP0332888

Asperustin C

Not Available

C₂₃H₂₄O₈

428.4370 Da
428.14712 Da

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

NP0332889

Asperustin D

Not Available

C₂₀H₁₇ClO₇

404.8000 Da
404.06628 Da

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

NP0332890

Asperustin E

Not Available

C₂₃H₂₄O₈

428.4370 Da
428.14712 Da

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

NP0332891

Asperustin F

Not Available

C₂₀H₁₇ClO₈

420.8000 Da
420.06120 Da

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

NP0332892

Asperustin G

Not Available

C₂₃H₂₄O₉

444.4360 Da
444.14203 Da

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

NP0332893

Asperustin H

Not Available

C₂₃H₂₄O₉

444.4360 Da
444.14203 Da

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

NP0332894

Asperustin I

Not Available

C₂₃H₂₂O₈

426.4210 Da
426.13147 Da

¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-COSY 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 , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
[¹H , ¹H ]-NOESY NMR Spectrum (1D, 401 MHz, CD3OD, experimental)

NP0332895

Asperustin J

Not Available

C₂₂H₂₀O₈

412.3940 Da
412.11582 Da

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

NP0332901

Delta-8-iso-THC

Not Available

C₂₁H₃₀O₂

314.4690 Da
314.22458 Da

¹³C NMR Spectrum (1D, 75 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 300 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 76 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 301 MHz, C2D6OS, experimental)

NP0332903

HCDN

Not Available

C₂₁H₂₈O₂

312.4530 Da
312.20893 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 400 MHz, CD₃CN, simulated)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)
¹H NMR Spectrum (1D, 401 MHz, CD3CN, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3CN, experimental)

NP0332904

HCDN-DiAcetate

Not Available

C₂₅H₃₂O₄

396.5270 Da
396.23006 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 , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332905

CCB

Not Available

C₂₁H₃₀O₃

330.4680 Da
330.21949 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃CN, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃CN, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3CN, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3CN, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CD3CN, experimental)

NP0332906

CBDQ

Not Available

C₂₁H₂₈O₃

328.4520 Da
328.20384 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 , ¹H ]-COSY NMR Spectrum (1D, 401 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 401 MHz, CDCl3, experimental)

NP0332907

Delta-6-iso-CBD

Not Available

C₂₁H₃₀O₂

314.4690 Da
314.22458 Da

¹³C NMR Spectrum (1D, 75 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 76 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 301 MHz, CDCl3, experimental)

NP0332915

CBC

Not Available

C₂₁H₃₀O₂

314.4690 Da
314.22458 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500.353089661, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)

NP0332916

8'-hydroxy-CBC

Not Available

C₂₁H₃₀O₃

330.4680 Da
330.21949 Da

¹H NMR Spectrum (1D, 500, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332917

CBC-Ac

Not Available

C₂₃H₃₂O₃

356.5060 Da
356.23514 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500.353252275, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0332918

6',7'-epoxy-CBC-Ac

Not Available

C₂₃H₃₂O₄

372.5050 Da
372.23006 Da

¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0332919

6'7'-epoxy-CBC

Not Available

C₂₁H₃₀O₃

330.4680 Da
330.21949 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332920

CBC-TBS

Not Available

C₂₇H₄₄O₂Si

428.7320 Da
428.31106 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)

NP0332921

6'7'-epoxy-CBC-TBS

Not Available

C₂₇H₄₄O₃Si

444.7310 Da
444.30597 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332922

7′,10′-ene-6′-hydroxy-CBC-TBS

Not Available

C₂₇H₄₄O₃Si

444.7310 Da
444.30597 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332924

6′,7′-dihydroxy-CBC-Ac

Not Available

C₂₃H₃₄O₅

390.5200 Da
390.24062 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

NP0332925

6′,7′-dihydroxy-CBC

Not Available

C₂₁H₃₂O₄

348.4830 Da
348.23006 Da

¹³C NMR Spectrum (1D, 126 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)
¹H NMR Spectrum (1D, 501 MHz, CDCL3, experimental)

Browsing natural products

Filter by kingdom:

Filter by solvent:

Filter by spectral type:

Filter by nucleus:

Filter by spectra quality:

Filter by assignment quality: