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

NP0137281

Manassantin B

Saururus cernuus
Saururus chinensis

C₄₁H₄₈O₁₁

716.8240 Da
716.31966 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0208495

(7r,8r,10s)-10-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2s,4s,5s,6s)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8,11-pentahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

Streptomyces purpurascens

C₃₆H₄₈N₂O₁₃

716.7810 Da
716.31564 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0206795

7,10-bis({[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy})-8-ethyl-1,4,6,8,11-pentahydroxy-9,10-dihydro-7h-tetracene-5,12-dione

Streptomyces purpurascens

C₃₆H₄₈N₂O₁₃

716.7810 Da
716.31564 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0042489

chukfuransin A

Chukrasia tabularis

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)

NP0145821

[5,7,9,10,13-pentakis(acetyloxy)-2,4-dihydroxy-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadec-11-en-4-yl]methyl benzoate

Taxus mairei

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0033206

7,8beta,9beta,14alpha,15beta-pentaacetoxy-3beta-benzoyloxy-1alpha,5beta-d+

Euphorbia tithymaloides

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)

NP0180125

[(1r,2r,3r,4s,5s,7s,8s,9r,10r,13s)-5,7,9,10,13-pentakis(acetyloxy)-2,4-dihydroxy-8,12,15,15-tetramethyltricyclo[9.3.1.0³,⁸]pentadec-11-en-4-yl]methyl benzoate

Taxus mairei

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0294345

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16r,19r,20r,21s)-4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate

Melia azedarach

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0041084

meliatoosenin J

Melia azedarach var. toosendan

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)
¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)
¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)

NP0297156

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15r,16s,19r,20r,21s)-4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate

Melia azedarach

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0281743

12,20,21-tris(acetyloxy)-6-(furan-3-yl)-4,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

Not Available

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0285049

(1s,2r,4s,5r,6s,8r,10r,11s,12r,14r,15r,16r,19r,20r,21s)-12,20,21-tris(acetyloxy)-6-(furan-3-yl)-4,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl (2r)-2-methylbutanoate

Not Available

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0146771

(1s,2s,3s,3as,4r,9r,10r,13s,13as)-3a,4,9,10,11-pentakis(acetyloxy)-3,13-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,7h,9h,10h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate

Euphorbia tithymaloides

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0308377

4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

Melia azedarach

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0234485

(1s,2r,4r,5r,6s,8r,10s,11s,12r,14r,15s,19r,20r,21s)-4,20,21-tris(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

Melia azedarach

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0140556

Jatrophane VI

Not Available

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0077786

Taxumairol A

Taxus mairei

C₃₇H₄₈O₁₄

716.7770 Da
716.30441 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0152986

2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

Morus mongolica

C₄₄H₄₄O₉

716.8148 Da
716.29853 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0201096

2-[(1r,5r,6s)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol

Morus alba

C₄₄H₄₄O₉

716.8270 Da
716.29853 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0055453

Mulberrofuran T

Morus alba
Morus mongolica

C₄₄H₄₄O₉

716.8270 Da
716.29853 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0293052

(1r,2r,3r,4s,5s,7r,8s,9r,10r,11s,14r)-2,7-bis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate

Euphorbia prolifera
Euphorbia seguieriana

C₃₉H₄₄N₂O₁₁

716.7840 Da
716.29451 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0301991

2,7-bis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate

Euphorbia seguieriana

C₃₉H₄₄N₂O₁₁

716.7840 Da
716.29451 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0005731

Spinosulfate A

Bacterium; sewage; soil

C₃₄H₅₂O₁₂S₂

716.9000 Da
716.29002 Da

¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)

NP0138125

220932-65-0

13-O-Cinnamoylbaccatin III

Not Available

C₄₀H₄₄O₁₂

716.7800 Da
716.28328 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

NP0291301

(1s,2s,3r,4s,7r,9s,10s,12r,15s)-4,12-bis(acetyloxy)-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-15-{[(2e)-3-phenylprop-2-enoyl]oxy}-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate

Taxus cuspidata

C₄₀H₄₄O₁₂

716.7800 Da
716.28328 Da

¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)
¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)
¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)

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