| SpectraBase Compound ID | K0Tk7piF50d |
|---|---|
| InChI | InChI=1S/C62H108O25/c1-8-11-14-15-17-21-27-32-42(66)83-57-56(87-59-48(72)45(69)44(68)39(33-63)80-59)53(85-58-49(73)47(71)51(35(5)76-58)81-40(64)30-24-13-10-3)37(7)78-62(57)84-52-36(6)77-61-55(50(52)74)82-41(65)31-26-22-19-16-18-20-25-29-38(28-23-12-9-2)79-60-54(86-61)46(70)43(67)34(4)75-60/h34-39,43-63,67-74H,8-33H2,1-7H3/t34-,35+,36+,37+,38+,39-,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+/m1/s1 |
| InChIKey | ITHWOIDZLGRETC-RBIFCKFXSA-N |
| Mol Weight | 1253.5 g/mol |
| Molecular Formula | C62H108O25 |
| Exact Mass | 1252.717969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Cs9cl8Fhek |
|---|---|
| Name | PURGINOSIDE_IV |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H108O25 |
| InChI | InChI=1S/C62H108O25/c1-8-11-14-15-17-21-27-32-42(66)83-57-56(87-59-48(72)45(69)44(68)39(33-63)80-59)53(85-58-49(73)47(71)51(35(5)76-58)81-40(64)30-24-13-10-3)37(7)78-62(57)84-52-36(6)77-61-55(50(52)74)82-41(65)31-26-22-19-16-18-20-25-29-38(28-23-12-9-2)79-60-54(86-61)46(70)43(67)34(4)75-60/h34-39,43-63,67-74H,8-33H2,1-7H3/t34-,35+,36+,37+,38+,39-,43+,44-,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+/m1/s1 |
| InChIKey | ITHWOIDZLGRETC-RBIFCKFXSA-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 | 1253.525 g/mol |
| Sample ID | 41029 |
| Solvent | C5D5N |