| SpectraBase Compound ID | HT9kzl0bHKQ |
|---|---|
| InChI | InChI=1S/C34H52O5/c1-19(2)20(3)10-11-21(4)23-14-15-30(6)24-12-13-25-32(8,29(36)37-9)26(38-22(5)35)16-27-34(25)18-33(24,34)28(39-27)17-31(23,30)7/h19,21,23-28H,3,10-18H2,1-2,4-9H3/t21-,23-,24+,25+,26+,27+,28-,30+,31-,32+,33+,34-/m1/s1 |
| InChIKey | JISKPKRVVHQSMV-ISIDXMIOSA-N |
| Mol Weight | 540.8 g/mol |
| Molecular Formula | C34H52O5 |
| Exact Mass | 540.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2rAuQbFeN8B |
|---|---|
| Name | METHYL-3-O-ACETYLQUADRANGULARATE-D |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O5 |
| InChI | InChI=1S/C34H52O5/c1-19(2)20(3)10-11-21(4)23-14-15-30(6)24-12-13-25-32(8,29(36)37-9)26(38-22(5)35)16-27-34(25)18-33(24,34)28(39-27)17-31(23,30)7/h19,21,23-28H,3,10-18H2,1-2,4-9H3/t21-,23-,24+,25+,26+,27+,28-,30+,31-,32+,33+,34-/m1/s1 |
| InChIKey | JISKPKRVVHQSMV-ISIDXMIOSA-N |
| Literature Reference Author | A.H.BANSKOTA,Y.TEZUKA,K.Q.TRAN,K.TANAKA,I.SAIKI,S.KADOTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,496(2000) |
| Literature Reference DOI | 10.1248/cpb.48.496 |
| Molecular Weight | 540.784 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5001 |