| SpectraBase Compound ID | BkrjONjBrmJ |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-45-39(67)34(62)31(59)25(20-56)72-45)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(37(65)36(64)40(75-47)43(68)69)77-46-41(35(63)32(60)26(21-57)73-46)76-44-38(66)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27?,28?,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | DACDCHOMOSFBCD-MSDNFEMZSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5riExIWWnn9 |
|---|---|
| Name | SANDROSAPONIN-IX |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-45-39(67)34(62)31(59)25(20-56)72-45)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(37(65)36(64)40(75-47)43(68)69)77-46-41(35(63)32(60)26(21-57)73-46)76-44-38(66)33(61)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23-,24+,25+,26+,27?,28?,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40-,41+,42+,44-,45-,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | DACDCHOMOSFBCD-MSDNFEMZSA-N |
| Literature Reference Author | A.MATSUSHITA,T.MIYASE,H.NOGUCHI,D.V.VELDE |
| Literature Reference Citation | J.NAT.PROD.,67,377(2004) |
| Literature Reference DOI | 10.1021/np030316v |
| Molecular Weight | 1119.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWKP4022 |