| SpectraBase Compound ID | A4LMtAZUrvh |
|---|---|
| InChI | InChI=1S/C45H74O20/c1-17-9-29(49)45(58-16-17)18(2)30-25(65-45)12-22-20-11-24(60-41-38(57)35(54)39(28(15-48)63-41)64-42-37(56)34(53)32(51)27(14-47)62-42)23-10-19(5-7-43(23,3)21(20)6-8-44(22,30)4)59-40-36(55)33(52)31(50)26(13-46)61-40/h17-42,46-57H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43-,44+,45+/m1/s1 |
| InChIKey | MPPSKWYDDCALOX-RFCRNBITSA-N |
| Mol Weight | 935.1 g/mol |
| Molecular Formula | C45H74O20 |
| Exact Mass | 934.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1faFtQ63sMD |
|---|---|
| Name | #5;CANTALASAPONIN-I-B5;(23S,25R)-5-ALPHA-SPIROST-3-BETA,6-ALPHA,23-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-6-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O20 |
| InChI | InChI=1S/C45H74O20/c1-17-9-29(49)45(58-16-17)18(2)30-25(65-45)12-22-20-11-24(60-41-38(57)35(54)39(28(15-48)63-41)64-42-37(56)34(53)32(51)27(14-47)62-42)23-10-19(5-7-43(23,3)21(20)6-8-44(22,30)4)59-40-36(55)33(52)31(50)26(13-46)61-40/h17-42,46-57H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43-,44+,45+/m1/s1 |
| InChIKey | MPPSKWYDDCALOX-RFCRNBITSA-N |
| Literature Reference Author | L.P.KANG,Y.Z.WANG,B.FENG,H.Z.HUANG,W.B.ZHOU,Y.ZHAO,C.Q.XIONG ,D.W.TAN,X.B.SONG |
| Literature Reference Citation | MAGN.RES.CHEM.,50,79(2012) |
| Literature Reference DOI | 10.1002/mrc.3797 |
| Molecular Weight | 935.071 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT16029 |