| SpectraBase Compound ID | 1a5GJGDMyEm |
|---|---|
| InChI | InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23+,24+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,37-,38+,39-,40+,41-,42+,43+,44-,45-,46+,47+,48+/m1/s1 |
| InChIKey | IMNHFZIFCBHSQR-LAQVZTBLSA-N |
| Mol Weight | 971.1 g/mol |
| Molecular Formula | C48H74O20 |
| Exact Mass | 970.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yXilXnZFFC |
|---|---|
| Name | ALEPPOSIDE-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H74O20 |
| InChI | InChI=1S/C48H74O20/c1-22-41(66-36-16-31(52)42(23(2)62-36)67-37-17-32(59-5)43(24(3)63-37)68-44-40(56)39(55)38(54)33(19-49)65-44)30(51)15-35(61-22)64-26-6-11-46(21-50)28-7-10-45(4)27(25-14-34(53)60-20-25)9-13-48(45,58)29(28)8-12-47(46,57)18-26/h14,21-24,26-33,35-44,49,51-52,54-58H,6-13,15-20H2,1-5H3/t22-,23+,24+,26+,27-,28+,29-,30+,31-,32+,33+,35+,36-,37-,38+,39-,40+,41-,42+,43+,44-,45-,46+,47+,48+/m1/s1 |
| InChIKey | IMNHFZIFCBHSQR-LAQVZTBLSA-N |
| Literature Reference Author | G.F.PAULI,P.JUNIOR,S.BERGER,U.MATTHIESEN |
| Literature Reference Citation | J.NAT.PROD.,56,67(1993) |
| Literature Reference DOI | 10.1021/np50091a010 |
| Molecular Weight | 971.104 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS937 |