| SpectraBase Compound ID | GftTalIJGvy |
|---|---|
| InChI | InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)51(76)46(38-71)88-66)59(94-68-61(90-49(74)37-36-44-30-25-23-26-31-44)55(80)57(41(6)84-68)92-65(82)39(4)11-3)43(8)86-70(64)93-58-42(7)85-69-62(56(58)81)89-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-67-60(95-69)53(78)50(75)40(5)83-67/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39?,40-,41+,42+,43+,45+,46+,50+,51+,52-,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,66-,67+,68+,69+,70+/m1/s1 |
| InChIKey | MFVVQPJPHUAJBA-QDSHDPGNSA-N |
| Mol Weight | 1369.6 g/mol |
| Molecular Formula | C70H112O26 |
| Exact Mass | 1368.744184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJAMehLQoAg |
|---|---|
| Name | PURGINOSIDE_I |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O26 |
| InChI | InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)51(76)46(38-71)88-66)59(94-68-61(90-49(74)37-36-44-30-25-23-26-31-44)55(80)57(41(6)84-68)92-65(82)39(4)11-3)43(8)86-70(64)93-58-42(7)85-69-62(56(58)81)89-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-67-60(95-69)53(78)50(75)40(5)83-67/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39?,40-,41+,42+,43+,45+,46+,50+,51+,52-,53+,54+,55-,56-,57+,58+,59+,60-,61-,62-,63-,64-,66-,67+,68+,69+,70+/m1/s1 |
| InChIKey | MFVVQPJPHUAJBA-QDSHDPGNSA-N |
| Literature Reference Author | J.CASTANEDA-GOMEZ,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,74,1148(2011) |
| Literature Reference DOI | 10.1021/np200080k |
| Molecular Weight | 1369.644 g/mol |
| Sample ID | 38199 |
| Solvent | C5D5N |