| SpectraBase Compound ID | 9mPeE1pHZrr |
|---|---|
| InChI | InChI=1S/C36H42O18/c1-17-30-25(14-29(47-17)49-19(3)38)26(34(43)44-7)15-46-35(30)54-36-33(52-22(6)41)32(51-21(5)40)31(50-20(4)39)27(53-36)16-45-28(42)13-10-23-8-11-24(12-9-23)48-18(2)37/h8-13,15,17,25,27,29-33,35-36H,14,16H2,1-7H3/b13-10+/t17-,25?,27-,29-,30?,31-,32+,33-,35-,36+/m1/s1 |
| InChIKey | RUVVPJDCJCHSFA-GSLZNDPFSA-N |
| Mol Weight | 762.7 g/mol |
| Molecular Formula | C36H42O18 |
| Exact Mass | 762.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwoBgeo0rzQ |
|---|---|
| Name | (7S)-ISOHAENKEANOSIDE-PENTAACETATE |
| Compound Number | 176 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H42O18 |
| InChI | InChI=1S/C36H42O18/c1-17-30-25(14-29(47-17)49-19(3)38)26(34(43)44-7)15-46-35(30)54-36-33(52-22(6)41)32(51-21(5)40)31(50-20(4)39)27(53-36)16-45-28(42)13-10-23-8-11-24(12-9-23)48-18(2)37/h8-13,15,17,25,27,29-33,35-36H,14,16H2,1-7H3/b13-10+/t17-,25?,27-,29-,30?,31-,32+,33-,35-,36+/m1/s1 |
| InChIKey | RUVVPJDCJCHSFA-GSLZNDPFSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 762.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4547 |