| SpectraBase Compound ID | ED97EvFxQCN |
|---|---|
| InChI | InChI=1S/C34H44O20/c1-13(35)43-12-22-25(47-15(3)37)29(50-18(6)40)31(51-19(7)41)34(52-22)54-32-24-23(27(49-17(5)39)30-28(24)53-30)20(10-44-32)11-45-33-26(48-16(4)38)21(8-9-42-33)46-14(2)36/h10,21-34H,8-9,11-12H2,1-7H3/t21-,22+,23?,24?,25+,26-,27?,28?,29-,30?,31+,32?,33?,34?/m1/s1 |
| InChIKey | ZKWRCSZEQPATSC-LOTPXTFASA-N |
| Mol Weight | 772.7 g/mol |
| Molecular Formula | C34H44O20 |
| Exact Mass | 772.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJI4hnJc5Ha |
|---|---|
| Name | Peracetyl-mentzelosyl-epoxy-decaloside |
| CAS Registry Number | 78808-80-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H44O20 |
| InChI | InChI=1S/C34H44O20/c1-13(35)43-12-22-25(47-15(3)37)29(50-18(6)40)31(51-19(7)41)34(52-22)54-32-24-23(27(49-17(5)39)30-28(24)53-30)20(10-44-32)11-45-33-26(48-16(4)38)21(8-9-42-33)46-14(2)36/h10,21-34H,8-9,11-12H2,1-7H3/t21-,22+,23?,24?,25+,26-,27?,28?,29-,30?,31+,32?,33?,34?/m1/s1 |
| InChIKey | ZKWRCSZEQPATSC-LOTPXTFASA-N |
| Literature Reference | S. Jensen, C. Mikkelsen, Phytochem. 20, 71 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |