| SpectraBase Compound ID | CwKlf3DjcBB |
|---|---|
| InChI | InChI=1S/C53H86O21/c1-23-32(56)36(60)40(64)44(69-23)73-42-33(57)26(55)21-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)35(59)28(71-45)22-68-43-39(63)37(61)34(58)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,50?,51?,52?,53-/m0/s1 |
| InChIKey | NGKYAUZANWQMED-DTBHDFPASA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C53H86O21 |
| Exact Mass | 1058.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMkVtmWPp54 |
|---|---|
| Name | SAPONIN-11 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O21 |
| InChI | InChI=1S/C53H86O21/c1-23-32(56)36(60)40(64)44(69-23)73-42-33(57)26(55)21-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)35(59)28(71-45)22-68-43-39(63)37(61)34(58)27(20-54)70-43/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,50?,51?,52?,53-/m0/s1 |
| InChIKey | NGKYAUZANWQMED-DTBHDFPASA-N |
| Literature Reference Author | J.KONG,X.C.LI,B.Y.WEI,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,33,427(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85533-W |
| Molecular Weight | 1059.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6404 |