| SpectraBase Compound ID | quVr1WwRXW |
|---|---|
| InChI | InChI=1S/2C34H54O6/c2*1-18(2)27(36)39-25-11-12-31(7)22-10-13-33-17-34(33,32(22,8)24(35)16-23(31)29(25,3)4)14-9-20(33)19-15-21(38-28(19)37)26-30(5,6)40-26/h2*18-26,28,35,37H,9-17H2,1-8H3/t19?,20-,21-,22+,23-,24+,25+,26?,28+,31+,32-,33+,34+;19?,20-,21-,22+,23-,24+,25+,26?,28-,31+,32-,33+,34+/m00/s1 |
| InChIKey | MOUVHJGTGMLGCL-VKKUNOQNSA-N |
| Mol Weight | 1117.6 g/mol |
| Molecular Formula | C68H108O12 |
| Exact Mass | 1116.784079 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ct1xqw8PHY6 |
|---|---|
| Name | 3-ISOBUTYRYL-7-DEACETYL-GLABRETAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H108O12 |
| InChI | InChI=1S/2C34H54O6/c2*1-18(2)27(36)39-25-11-12-31(7)22-10-13-33-17-34(33,32(22,8)24(35)16-23(31)29(25,3)4)14-9-20(33)19-15-21(38-28(19)37)26-30(5,6)40-26/h2*18-26,28,35,37H,9-17H2,1-8H3/t19?,20-,21-,22+,23-,24+,25+,26?,28+,31+,32-,33+,34+;19?,20-,21-,22+,23-,24+,25+,26?,28-,31+,32-,33+,34+/m00/s1 |
| InChIKey | MOUVHJGTGMLGCL-VKKUNOQNSA-N |
| Literature Reference Author | D.A.MULHOLLAND,D.A.H.TAYLOR |
| Literature Reference Citation | PHYTOCHEM.,31,4163(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80434-G |
| Molecular Weight | 1117.598 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS27843 |