| SpectraBase Compound ID | 3CxCaprORQH |
|---|---|
| InChI | InChI=1S/C45H54O23/c1-20-34(59-23(4)48)37(61-25(6)50)40(65-32(53)15-12-28-10-13-29(54-9)14-11-28)43(58-20)66-35-30-16-17-55-42(33(30)45(41(35)68-45)19-57-22(3)47)67-44-39(63-27(8)52)38(62-26(7)51)36(60-24(5)49)31(64-44)18-56-21(2)46/h10-17,20,30-31,33-44H,18-19H2,1-9H3/b15-12+/t20-,30-,31+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45-/m1/s1 |
| InChIKey | ZICGQVHYSJAZQE-JNYCGNSTSA-N |
| Mol Weight | 962.9 g/mol |
| Molecular Formula | C45H54O23 |
| Exact Mass | 962.305588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KMdXB0E9ih |
|---|---|
| Name | 6-O-ALPHA-L-(2''-O-TRANS-PARA-METHOXYCINNAMOYL)-RHAMNOPYRANOSYL-CATALPOL-HEPTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H54O23 |
| InChI | InChI=1S/C45H54O23/c1-20-34(59-23(4)48)37(61-25(6)50)40(65-32(53)15-12-28-10-13-29(54-9)14-11-28)43(58-20)66-35-30-16-17-55-42(33(30)45(41(35)68-45)19-57-22(3)47)67-44-39(63-27(8)52)38(62-26(7)51)36(60-24(5)49)31(64-44)18-56-21(2)46/h10-17,20,30-31,33-44H,18-19H2,1-9H3/b15-12+/t20-,30-,31+,33-,34-,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45-/m1/s1 |
| InChIKey | ZICGQVHYSJAZQE-JNYCGNSTSA-N |
| Literature Reference Author | H.OTSUKA,Y.SASAKI,N.KUBO,K.YAMASAKI,Y.TAKEDA,T.SEKI |
| Literature Reference Citation | J.NAT.PROD.,54,547(1991) |
| Literature Reference DOI | 10.1021/np50074a030 |
| Molecular Weight | 962.910 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1150 |