| SpectraBase Compound ID | 39U0aqegRi3 |
|---|---|
| InChI | InChI=1S/C51H82O22/c1-20(19-66-46-40(62)39(61)36(58)31(17-52)70-46)7-10-29(54)21(2)33-30(55)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)69-49-45(73-48-42(64)38(60)35(57)23(4)68-48)43(65)44(32(18-53)71-49)72-47-41(63)37(59)34(56)22(3)67-47/h8,20-23,25-28,31-49,52-53,56-65H,7,9-19H2,1-6H3/t20-,21+,22-,23-,25-,26?,27?,28?,31+,32+,33?,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | QFMVSVJHRRWVEX-FJXHPNLTSA-N |
| Mol Weight | 1047.2 g/mol |
| Molecular Formula | C51H82O22 |
| Exact Mass | 1046.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93PfDhFcCkA |
|---|---|
| Name | ANGUIVIOSIDE-XV;3-O-BETA-CHACOTRIOSYL-KRYPTOGENIN-26-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O22 |
| InChI | InChI=1S/C51H82O22/c1-20(19-66-46-40(62)39(61)36(58)31(17-52)70-46)7-10-29(54)21(2)33-30(55)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)69-49-45(73-48-42(64)38(60)35(57)23(4)68-48)43(65)44(32(18-53)71-49)72-47-41(63)37(59)34(56)22(3)67-47/h8,20-23,25-28,31-49,52-53,56-65H,7,9-19H2,1-6H3/t20-,21+,22-,23-,25-,26?,27?,28?,31+,32+,33?,34-,35-,36+,37+,38+,39-,40+,41+,42+,43-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | QFMVSVJHRRWVEX-FJXHPNLTSA-N |
| Literature Reference Author | T.HONBU,T.IKEDA,X.H.ZHU,O.YOSHIHARA,M.OKAWA,A.M.NAFADY,T.NOH ARA |
| Literature Reference Citation | J.NAT.PROD.,65,1918(2002) |
| Literature Reference DOI | 10.1021/np020254t |
| Molecular Weight | 1047.199 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16590 |