| SpectraBase Compound ID | GqMCQqaqhFG |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22?,23-,24-,25+,26+,27+,30-,31+,32+,33+/m0/s1 |
| InChIKey | FBSVHROTXUJUHS-DPPHPOIZSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Itf0BGUFyWs |
|---|---|
| Name | 3-O-Acetylbetulinat |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22?,23-,24-,25+,26+,27+,30-,31+,32+,33+/m0/s1 |
| InChIKey | FBSVHROTXUJUHS-DPPHPOIZSA-N |
| Literature Reference | J. Nat. Products 47, 673 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |