| SpectraBase Compound ID | KTvWil5jn7s |
|---|---|
| InChI | InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51-,52-,53+,54-,55+,56+,57+,61+,62-,63-,64+/m1/s1 |
| InChIKey | GROQHEZXWUJYNW-NERRRLLBSA-N |
| Mol Weight | 1337.5 g/mol |
| Molecular Formula | C64H104O29 |
| Exact Mass | 1336.666327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnOxQBX5zt6 |
|---|---|
| Name | SIEBOLDIANOSIDE-B |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O29 |
| InChI | InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26+,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51-,52-,53+,54-,55+,56+,57+,61+,62-,63-,64+/m1/s1 |
| InChIKey | GROQHEZXWUJYNW-NERRRLLBSA-N |
| Literature Reference Author | X.WANG,M.WANG,M.XU,Y.WANG,H.TANG,X.SUN |
| Literature Reference Citation | MOLECULES,19,2121(2014) |
| Literature Reference DOI | 10.3390/molecules19022121 |
| Molecular Weight | 1337.512 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14592 |