![PEGANETIN;ACACETIN-7-O-[RHAMNOSYL-(1-4'')-GLUCO-(1-6'')-6'''-O-ACETYL-SOPHOROSIDE]](/api/spectrum/4UzB0x6gDfl/structure.png?h=300&w=458 "PEGANETIN;ACACETIN-7-O-[RHAMNOSYL-(1-4'')-GLUCO-(1-6'')-6'''-O-ACETYL-SOPHOROSIDE]")
| SpectraBase Compound ID | 5Nliq7W3day |
|---|---|
| InChI | InChI=1S/C42H54O25/c1-14-27(47)30(50)34(54)40(60-14)66-37-25(13-59-39-33(53)31(51)28(48)23(11-43)63-39)65-42(38(36(37)56)67-41-35(55)32(52)29(49)24(64-41)12-58-15(2)44)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14-,23+,24-,25-,27-,28+,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | QOZYYIZALVCMCA-JUSCLNMRSA-N |
| Mol Weight | 958.9 g/mol |
| Molecular Formula | C42H54O25 |
| Exact Mass | 958.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UzB0x6gDfl |
|---|---|
| Name | PEGANETIN;ACACETIN-7-O-[RHAMNOSYL-(1-4'')-GLUCO-(1-6'')-6'''-O-ACETYL-SOPHOROSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O25 |
| InChI | InChI=1S/C42H54O25/c1-14-27(47)30(50)34(54)40(60-14)66-37-25(13-59-39-33(53)31(51)28(48)23(11-43)63-39)65-42(38(36(37)56)67-41-35(55)32(52)29(49)24(64-41)12-58-15(2)44)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14-,23+,24-,25-,27-,28+,29-,30+,31-,32+,33+,34-,35-,36+,37-,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | QOZYYIZALVCMCA-JUSCLNMRSA-N |
| Literature Reference Author | A.A.AHMED,N.A.M.SALEH |
| Literature Reference Citation | J.NAT.PROD.,50,256(1987) |
| Literature Reference DOI | 10.1021/np50050a028 |
| Molecular Weight | 958.876 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW20352 |