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

NP0331227

Astramalabaricoside L

Not Available

C₆₆H₁₁₃NO₃₄

1464.6030 Da
1463.71440 Da

¹H NMR Spectrum (1D, 301 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331228

Astramalabaricoside F

Not Available

C₄₇H₈₂O₂₀

967.1530 Da
966.53995 Da

¹H NMR Spectrum (1D, 300 MHz, D₂O, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 301 MHz, D2O, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331229

Astramalabaricoside R

Not Available

C₅₈H₉₅NO₂₇

1238.3780 Da
1237.60915 Da

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

NP0331230

Astramalabaricoside S

Not Available

C₅₈H₉₅NO₂₇

1238.3780 Da
1237.60915 Da

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

NP0331231

Astramalabaricoside G

Not Available

C₅₅H₉₅NO₂₅

1170.3470 Da
1169.61932 Da

¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 101 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 401 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)

NP0331232

Astramalabaricoside P

Not Available

C₅₆H₉₃NO₂₆

1196.3410 Da
1195.59858 Da

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

NP0331233

Astramalabaricoside E

Not Available

C₅₀H₈₇NO₂₁

1038.2320 Da
1037.57706 Da

¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 301 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331234

Astramalabaricoside K

Not Available

C₆₁H₁₀₅NO₃₀

1332.4880 Da
1331.67214 Da

¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331235

Astramalabaricoside B

Not Available

C₅₅H₉₅NO₂₄

1154.3480 Da
1153.62440 Da

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

NP0331236

Astramalabaricoside C

Not Available

C₆₀H₁₀₃NO₂₈

1286.4630 Da
1285.66666 Da

¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331237

Astramalabaricoside J

Not Available

C₅₃H₉₂O₂₅

1129.2940 Da
1128.59277 Da

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

NP0331238

Astramalabaricoside D

Not Available

C₅₇H₉₇NO₂₅

1196.3850 Da
1195.63497 Da

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

NP0331239

Astramalabaricoside I

Not Available

C₅₇H₉₇NO₂₆

1212.3840 Da
1211.62988 Da

¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331240

Astramalabaricoside A

Not Available

C₅₀H₈₇NO₂₀

1022.2330 Da
1021.58214 Da

¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C₅D₅N, simulated)
¹H NMR Spectrum (1D, 301 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331241

Astramalabaricoside O

Not Available

C₄₈H₈₀O₂₁

993.1470 Da
992.51921 Da

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

NP0331242

Astramalabaricoside H

Not Available

C₆₀H₁₀₃NO₂₉

1302.4620 Da
1301.66158 Da

¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)

NP0331243

Malahupinoside B

Not Available

C₃₁H₃₄O₁₄

630.5990 Da
630.19486 Da

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

NP0331244

( ± )-Malahupin

Not Available

C₂₆H₂₆O₉

482.4850 Da
482.15768 Da

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

NP0331245

Malahupinoside A

Not Available

C₃₁H₃₈O₁₂

602.6330 Da
602.23633 Da

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

NP0331246

Malahupin A

Not Available

C₂₃H₂₂O₆

394.4230 Da
394.14164 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 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)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331247

7‴-Epi-malahupinoside B

Not Available

C₃₁H₃₄O₁₄

630.5990 Da
630.19486 Da

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

NP0331248

Malahupin B

Not Available

C₂₅H₂₄O₈

452.4590 Da
452.14712 Da

¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹³C NMR Spectrum (1D, 126 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)
¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)
¹³C NMR Spectrum (1D, 126 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)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, CD3OD, experimental)

NP0331249

(2S,1″R,2″R)-4'-Hydroxy-7-methoxy-6-(1,2,3-trihydroxy-3-methyl-butyl)-flavanone

Not Available

C₂₁H₂₄O₇

388.4160 Da
388.15220 Da

[¹H , ¹H ]-NOESY NMR Spectrum (1D, 501 MHz, CDCl3, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 501 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)
¹H NMR Spectrum (1D, 501 MHz, C5D5N, experimental)

NP0331250

Sordarin

Not Available

C₂₇H₄₀O₈

492.6090 Da
492.27232 Da

¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 600 MHz, C2D6OS, simulated)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

NP0331251

Methyl-Pyridoxatin

Not Available

C₁₆H₂₃NO₃

277.3640 Da
277.16779 Da

¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)
[¹H , ¹H ]-COSY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HSQC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹³C ]-HMBC NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)
[¹H , ¹H ]-ROESY NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)

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