| SpectraBase Compound ID | K6T3uwMotCy |
|---|---|
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24?,25+,26+,27+,28?,29?,30-,31?,32+,33+,34+,35-,36-,37-,38?,39+,40+,41+,42?,43-,44-,45+,49+,50+,51+,52-,53-/m0/s1 |
| InChIKey | DSOVPWHTAYTWNB-WYCPIZFJSA-N |
| Mol Weight | 1105.2 g/mol |
| Molecular Formula | C53H84O24 |
| Exact Mass | 1104.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | yYhkXDYT8K |
|---|---|
| Name | SAPONARIOSIDE-M;3-O-BETA-D-GLUCOPYRANOSYLGYPSOGENIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O24 |
| InChI | InChI=1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24?,25+,26+,27+,28?,29?,30-,31?,32+,33+,34+,35-,36-,37-,38?,39+,40+,41+,42?,43-,44-,45+,49+,50+,51+,52-,53-/m0/s1 |
| InChIKey | DSOVPWHTAYTWNB-WYCPIZFJSA-N |
| Literature Reference Author | K.KOIKE,Z.JIA,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,62,1655(1999) |
| Literature Reference DOI | 10.1021/np990311r |
| Molecular Weight | 1105.236 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU470 |