![6-O-[(2''-O-TRANS-CINNAMOYL)-ALPHA-L-RHAMNOPYRANOSYL]-CATAPOL-HEPTAACETATE;VERBASPINOSIDE-HEPTAACETATE](/api/spectrum/GI6z0JO8cd/structure.png?h=300&w=458 "6-O-[(2''-O-TRANS-CINNAMOYL)-ALPHA-L-RHAMNOPYRANOSYL]-CATAPOL-HEPTAACETATE;VERBASPINOSIDE-HEPTAACETATE")
| SpectraBase Compound ID | 7WSBx8IHM00 |
|---|---|
| InChI | InChI=1S/C44H52O22/c1-20-33(57-23(4)47)36(59-25(6)49)39(63-31(52)15-14-28-12-10-9-11-13-28)42(56-20)64-34-29-16-17-53-41(32(29)44(40(34)66-44)19-55-22(3)46)65-43-38(61-27(8)51)37(60-26(7)50)35(58-24(5)48)30(62-43)18-54-21(2)45/h9-17,20,29-30,32-43H,18-19H2,1-8H3/b15-14+/t20-,29+,30+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44+/m0/s1 |
| InChIKey | BRUORRLNIMPSNP-KLOJSMLBSA-N |
| Mol Weight | 932.9 g/mol |
| Molecular Formula | C44H52O22 |
| Exact Mass | 932.295023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GI6z0JO8cd |
|---|---|
| Name | 6-O-[(2''-O-TRANS-CINNAMOYL)-ALPHA-L-RHAMNOPYRANOSYL]-CATAPOL-HEPTAACETATE;VERBASPINOSIDE-HEPTAACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52O22 |
| InChI | InChI=1S/C44H52O22/c1-20-33(57-23(4)47)36(59-25(6)49)39(63-31(52)15-14-28-12-10-9-11-13-28)42(56-20)64-34-29-16-17-53-41(32(29)44(40(34)66-44)19-55-22(3)46)65-43-38(61-27(8)51)37(60-26(7)50)35(58-24(5)48)30(62-43)18-54-21(2)45/h9-17,20,29-30,32-43H,18-19H2,1-8H3/b15-14+/t20-,29+,30+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44+/m0/s1 |
| InChIKey | BRUORRLNIMPSNP-KLOJSMLBSA-N |
| Literature Reference Author | E.KALPOUTZAKIS,N.ALIGIANNIS,S.MITAKOU,A.L.SKALTSOUNIS |
| Literature Reference Citation | J.NAT.PROD.,62,342(1999) |
| Literature Reference DOI | 10.1021/np980351f |
| Molecular Weight | 932.884 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP6179 |