| SpectraBase Compound ID | 9PoncMRFsUP |
|---|---|
| InChI | InChI=1S/C71H96O38/c1-30(72)88-25-44-51(92-34(5)76)55(96-38(9)80)59(99-41(12)83)63(102-44)106-58-54(95-37(8)79)47(28-91-33(4)75)105-66(62(58)107-64-60(100-42(13)84)56(97-39(10)81)52(93-35(6)77)45(103-64)26-89-31(2)73)109-71-23-19-49-68(15)20-17-21-69(16,48(68)18-22-70(49,29-71)24-50(71)86)67(87)108-65-61(101-43(14)85)57(98-40(11)82)53(94-36(7)78)46(104-65)27-90-32(3)74/h44-49,51-66H,17-29H2,1-16H3/t44-,45+,46+,47-,48-,49-,51-,52+,53+,54-,55+,56-,57-,58+,59-,60+,61+,62-,63+,64-,65-,66+,68?,69+,70+,71-/m0/s1 |
| InChIKey | KYXZHUNVCNDEOM-WJFGRJKRSA-N |
| Mol Weight | 1557.5 g/mol |
| Molecular Formula | C71H96O38 |
| Exact Mass | 1556.557959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FlqFiVOmG8 |
|---|---|
| Name | REBAUDEOSIDE-A-PER-ACETATE-KETONE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H96O38 |
| InChI | InChI=1S/C71H96O38/c1-30(72)88-25-44-51(92-34(5)76)55(96-38(9)80)59(99-41(12)83)63(102-44)106-58-54(95-37(8)79)47(28-91-33(4)75)105-66(62(58)107-64-60(100-42(13)84)56(97-39(10)81)52(93-35(6)77)45(103-64)26-89-31(2)73)109-71-23-19-49-68(15)20-17-21-69(16,48(68)18-22-70(49,29-71)24-50(71)86)67(87)108-65-61(101-43(14)85)57(98-40(11)82)53(94-36(7)78)46(104-65)27-90-32(3)74/h44-49,51-66H,17-29H2,1-16H3/t44-,45+,46+,47-,48-,49-,51-,52+,53+,54-,55+,56-,57-,58+,59-,60+,61+,62-,63+,64-,65-,66+,68?,69+,70+,71-/m0/s1 |
| InChIKey | KYXZHUNVCNDEOM-WJFGRJKRSA-N |
| Literature Reference Author | M.UPRETI,G.DUBOIS,I.PRAKASH |
| Literature Reference Citation | MOLECULES,17,4186(2012) |
| Literature Reference DOI | 10.3390/molecules17044186 |
| Molecular Weight | 1557.520 g/mol |
| Sample ID | 1711 |
| Solvent | Unknown |