| SpectraBase Compound ID | DBXUrntZySt |
|---|---|
| InChI | InChI=1S/C27H32O14/c1-12(28)35-11-22-23(37-14(3)30)24(38-15(4)31)25(39-16(5)32)27(41-22)40-21-10-19(36-13(2)29)9-18-8-17(26(33)34)6-7-20(18)21/h9-10,17,22-25,27H,6-8,11H2,1-5H3,(H,33,34)/t17?,22-,23-,24+,25-,27-/m0/s1 |
| InChIKey | WZMRFGVFLQZXBP-YTTACHKVSA-N |
| Mol Weight | 580.5 g/mol |
| Molecular Formula | C27H32O14 |
| Exact Mass | 580.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BehrUaJvYOD |
|---|---|
| Name | ACERATOSIDE-PENTAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O14 |
| InChI | InChI=1S/C27H32O14/c1-12(28)35-11-22-23(37-14(3)30)24(38-15(4)31)25(39-16(5)32)27(41-22)40-21-10-19(36-13(2)29)9-18-8-17(26(33)34)6-7-20(18)21/h9-10,17,22-25,27H,6-8,11H2,1-5H3,(H,33,34)/t17?,22-,23-,24+,25-,27-/m0/s1 |
| InChIKey | WZMRFGVFLQZXBP-YTTACHKVSA-N |
| Literature Reference Author | S.B.SINGH,G.R.PETTIT |
| Literature Reference Citation | J.NAT.PROD.,53,1187(1990) |
| Literature Reference DOI | 10.1021/np50071a009 |
| Molecular Weight | 580.543 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU199 |