| SpectraBase Compound ID | 5VoL5T6pJT5 |
|---|---|
| InChI | InChI=1S/C53H86O25/c1-48(2)13-22-21-7-8-27-49(3)11-10-30(50(4,19-56)26(49)9-12-51(27,5)52(21,6)15-29(60)53(22,20-57)28(59)14-48)74-47-42(78-45-37(67)35(65)33(63)25(17-55)73-45)39(38(68)40(76-47)43(69)70)75-46-41(31(61)23(58)18-71-46)77-44-36(66)34(64)32(62)24(16-54)72-44/h7,22-42,44-47,54-68H,8-20H2,1-6H3,(H,69,70)/t22-,23+,24+,25+,26?,27?,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | MZCYZBNOWGLGGR-RIZKVGNASA-N |
| Mol Weight | 1123.2 g/mol |
| Molecular Formula | C53H86O25 |
| Exact Mass | 1122.545818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbYT8i3lOE2 |
|---|---|
| Name | DESACYL-CAMELLIASAPONIN_C |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O25 |
| InChI | InChI=1S/C53H86O25/c1-48(2)13-22-21-7-8-27-49(3)11-10-30(50(4,19-56)26(49)9-12-51(27,5)52(21,6)15-29(60)53(22,20-57)28(59)14-48)74-47-42(78-45-37(67)35(65)33(63)25(17-55)73-45)39(38(68)40(76-47)43(69)70)75-46-41(31(61)23(58)18-71-46)77-44-36(66)34(64)32(62)24(16-54)72-44/h7,22-42,44-47,54-68H,8-20H2,1-6H3,(H,69,70)/t22-,23+,24+,25+,26?,27?,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47-,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | MZCYZBNOWGLGGR-RIZKVGNASA-N |
| Literature Reference Author | M.YOSHIKAWA,T.MURAKAMI,S.YOSHIZUMI,N.MURAKAMI,J.YAMAHARA,H.M ATSUDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1899(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1899 |
| Molecular Weight | 1123.251 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19589 |