| SpectraBase Compound ID | 76K5juaWW3H |
|---|---|
| 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+/m1/s1 |
| InChIKey | DACDCHOMOSFBCD-JYGYZBEUSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mCa9SXQGGB |
|---|---|
| Name | SANDROSAPONIN-IX;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCO |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2021 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+/m1/s1 |
| InChIKey | DACDCHOMOSFBCD-JYGYZBEUSA-N |
| Literature Reference Author | S.SANCHEZ-CONTRERAS,A.M.DIAZ-LANZA,M.BERNABE |
| Literature Reference Citation | J.NAT.PROD.,63,1479(2000) |
| Literature Reference DOI | 10.1021/np000004h |
| Molecular Weight | 1119.262 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2279 |
| SpectraBase Batch ID | 3SjVQPa1GPa |