| NP0067986 | Daijisong | |  | C38H44N2O6
624.7770 Da
624.31884 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) |
|
| NP0020994 | Octacosamicin A | - Amycolatopsis
- Amycolatopsis azurea
|  | C31H52N4O9
624.7760 Da
624.37343 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) |
|
| NP0218138 | n-(1-{[(4e,10e,12z)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.0¹⁵,¹⁹.0²⁰,²⁴]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl]oxy}-1-oxopropan-2-yl)-4-methylpentanimidic acid | |  | C35H48N2O8
624.7750 Da
624.34107 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) |
|
| NP0251151 | n-[(2r)-1-{[(5r,6e,8e,10e,13s,14s,15r,16e)-3,15-dihydroxy-5-methoxy-14,16-dimethyl-22,24-dioxo-2-azabicyclo[18.3.1]tetracosa-1(23),2,6,8,10,16,20-heptaen-13-yl]oxy}-1-oxopropan-2-yl]-4-methylpentanimidic acid | |  | C35H48N2O8
624.7750 Da
624.34107 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) |
|
| NP0229956 | (2r,6r,7r,10s,12r,13r,14r)-4,4,7,17,18,18-hexamethyl-11-methylidene-16-oxo-10-{[(2e)-3-phenylprop-2-enoyl]oxy}-3,5-dioxatetracyclo[12.3.1.0²,⁶.0⁷,¹²]octadec-1(17)-en-13-yl benzoate | |  | C39H44O7
624.7740 Da
624.30870 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) |
|
| NP0281292 | 4',6',7-triisopropyl-3',4'a,5',6,7',8-hexamethoxy-3,4,9',9'a-tetrahydrospiro[1-benzopyran-2,1'-xanthen]-2'-one | |  | C36H48O9
624.7710 Da
624.32983 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) |
|
| NP0323354 | (2s,4'as,9'as)-4',6',7-triisopropyl-3',4'a,5',6,7',8-hexamethoxy-3,4,9',9'a-tetrahydrospiro[1-benzopyran-2,1'-xanthen]-2'-one | |  | C36H48O9
624.7710 Da
624.32983 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) |
|
| NP0317039 | 1-(2,3-dihydroxy-6-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-7,8-dihydroxy-9a,11a-dimethyl-1h,2h,4h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0258072 | 16-hydroxy-19-({5-hydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0284159 | 1-[(1s,3as,3bs,7s,9ar,9bs,11as)-7-{[(2r,4s,5s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3s,5r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethanone | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0280398 | (1's,2r,2's,5'r,6'r,10's,12's,14's)-5'-[(2s,3r,5s)-5,6-dihydroxy-5,6-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0285740 | 5'-(5,6-dihydroxy-5,6-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0320426 | (1s,2s,4s,6r,7s,8r,9s,11r,12s,13r,14r,16r)-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-ene-6,11,14,16-tetrol | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0034441 | simplexin E | |  | C33H52O11
624.7680 Da
624.35096 Da | | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | | 1H NMR Spectrum (1D, 500 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, 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) |
|
| NP0153555 | (1r,3r,9r,10r,13r,15r,21s,23r)-23-{[(2r,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-13-hydroxy-15-(hydroxymethyl)-3,10-dimethyl-16,25,26-trioxatricyclo[19.3.1.1⁹,¹²]hexacosa-4,6,18-trien-17-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0042614 | torvpregnanoside A | |  | C33H52O11
624.7680 Da
624.35096 Da | | 13C NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) |
|
| NP0039328 | brainesteroside A | |  | C33H52O11
624.7680 Da
624.35096 Da | | 13C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated) | | 13C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) | | 1H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated) |
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| NP0017278 | Mandelalide A | |  | C33H52O11
624.7680 Da
624.35096 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) |
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| NP0192891 | (1's,2r,2's,5's,6'r,10's,12'r,14's)-5'-[(2s,3r,5r)-5,6-dihydroxy-5,6-dimethyl-3-{[(2r,3r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0243328 | 7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-ene-6,11,14,16-tetrol | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0297495 | (1's,2r,2's,5's,6'r,10's,12'r,14's)-5'-[(2s,3r,5s)-5,6-dihydroxy-5,6-dimethyl-3-{[(2r,3r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one | |  | C33H52O11
624.7680 Da
624.35096 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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| NP0150348 | (1r,2r,3r,4s,5r,6s,7s,8r,10s,11s,14s)-5-(acetyloxy)-14-(butanoyloxy)-6,10-dihydroxy-3-isopropyl-6,10,14-trimethyl-11-(prop-2-enoyloxy)-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-4-yl butanoate | |  | C33H52O11
624.7680 Da
624.35096 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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| NP0166839 | (1's,2r,2's,5'r,6'r,10's,12's,14's)-5'-[(2s,3r,5r)-5,6-dihydroxy-5,6-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-6',10'-dimethyl-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0250198 | (1s,5ar,7r,8s,9as,11ar)-1-[(2r,3r)-2,3-dihydroxy-6-methyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl]-7,8-dihydroxy-9a,11a-dimethyl-1h,2h,4h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one | |  | C33H52O11
624.7680 Da
624.35096 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) |
|
| NP0153416 | (20e)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,21-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.1³,⁶.0¹²,¹⁴]nonacos-20-ene-9,18-dione | |  | C33H52O11
624.7680 Da
624.35096 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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