| SpectraBase Compound ID | 94x3pqlWibB |
|---|---|
| InChI | InChI=1S/C48H78O15/c1-12-34-32(10)62-47(56,23-36(34)49)30(8)42(53)28(6)44-25(3)18-14-16-21-39(51)60-45(26(4)19-15-17-20-38(50)59-44)29(7)43(54)31(9)48(57)24-37(35(13-2)33(11)63-48)58-40-22-27(5)41(52)46(55)61-40/h14-21,25-37,40-46,49,52-57H,12-13,22-24H2,1-11H3/b18-14-,19-15-,20-17-,21-16-/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,40+,41-,42+,43+,44-,45-,46+,47-,48-/m0/s1 |
| InChIKey | XTWRMKPXPVYOIR-VZRBRBBYSA-N |
| Mol Weight | 895.1 g/mol |
| Molecular Formula | C48H78O15 |
| Exact Mass | 894.534072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6KNOUhtEAY |
|---|---|
| Name | MONOGLYCOSYL-ELAIOLIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O15 |
| InChI | InChI=1S/C48H78O15/c1-12-34-32(10)62-47(56,23-36(34)49)30(8)42(53)28(6)44-25(3)18-14-16-21-39(51)60-45(26(4)19-15-17-20-38(50)59-44)29(7)43(54)31(9)48(57)24-37(35(13-2)33(11)63-48)58-40-22-27(5)41(52)46(55)61-40/h14-21,25-37,40-46,49,52-57H,12-13,22-24H2,1-11H3/b18-14-,19-15-,20-17-,21-16-/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,40+,41-,42+,43+,44-,45-,46+,47-,48-/m0/s1 |
| InChIKey | XTWRMKPXPVYOIR-VZRBRBBYSA-N |
| Literature Reference Author | K.U.BINDSEIL,A.ZEECK |
| Literature Reference Citation | J.ORG.CHEM.,58,5487(1993) |
| Literature Reference DOI | 10.1021/jo00072a036 |
| Molecular Weight | 895.138 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWCS19916 |