| SpectraBase Compound ID | 1pbIsLmBscm |
|---|---|
| InChI | InChI=1S/C71H114O26/c1-8-11-14-15-17-21-30-37-50(75)93-66-65(97-67-56(81)54(79)53(78)47(40-72)89-67)61(95-68-58(83)62(91-48(73)35-25-13-10-3)60(43(6)85-68)90-51(76)39-38-45-31-26-23-27-32-45)44(7)87-71(66)94-59-42(5)86-70-64(57(59)82)92-49(74)36-29-22-19-16-18-20-28-34-46(33-24-12-9-2)88-69-63(96-70)55(80)52(77)41(4)84-69/h23,26-27,31-32,38-39,41-44,46-47,52-72,77-83H,8-22,24-25,28-30,33-37,40H2,1-7H3/b39-38+/t41-,42+,43+,44+,46+,47-,52+,53-,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+/m1/s1 |
| InChIKey | BVCXUTLLTFTQCY-KJRQEDIZSA-N |
| Mol Weight | 1383.7 g/mol |
| Molecular Formula | C71H114O26 |
| Exact Mass | 1382.759834 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdG9UcT6tW2 |
|---|---|
| Name | PURGINOSIDE_III |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H114O26 |
| InChI | InChI=1S/C71H114O26/c1-8-11-14-15-17-21-30-37-50(75)93-66-65(97-67-56(81)54(79)53(78)47(40-72)89-67)61(95-68-58(83)62(91-48(73)35-25-13-10-3)60(43(6)85-68)90-51(76)39-38-45-31-26-23-27-32-45)44(7)87-71(66)94-59-42(5)86-70-64(57(59)82)92-49(74)36-29-22-19-16-18-20-28-34-46(33-24-12-9-2)88-69-63(96-70)55(80)52(77)41(4)84-69/h23,26-27,31-32,38-39,41-44,46-47,52-72,77-83H,8-22,24-25,28-30,33-37,40H2,1-7H3/b39-38+/t41-,42+,43+,44+,46+,47-,52+,53-,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,70+,71+/m1/s1 |
| InChIKey | BVCXUTLLTFTQCY-KJRQEDIZSA-N |
| Literature Reference Author | J.CASTANEDA-GOMEZ,G.FIGUEROA-GONZALEZ,N.JACOBO,R.PEREDA-MIRA NDA |
| Literature Reference Citation | J.NAT.PROD.,76,64(2013) |
| Literature Reference DOI | 10.1021/np300739y |
| Molecular Weight | 1383.671 g/mol |
| Sample ID | 41028 |
| Solvent | C5D5N |