| SpectraBase Compound ID | BOAp33Tg0EW |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | UEHILKCNLIKLEV-XLOXWKMYSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDMjVaQVlGd |
|---|---|
| Name | CLEMATIBETOSIDE-C;3-O-BETA-D-RIBOPYRANOSYL-HEDERAGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | UEHILKCNLIKLEV-XLOXWKMYSA-N |
| Literature Reference Author | Y.KAWATA,H.KIZU,Y.MIYAICHI,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,635(2001) |
| Literature Reference DOI | 10.1248/cpb.49.635 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31743 |