| SpectraBase Compound ID | 51KuA9lZQNP |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-27(2)13-15-33(26(35)36)16-14-31(7)20(21(33)17-27)9-10-24-29(5)18-22(34)25-30(6,19-37-28(3,4)38-25)23(29)11-12-32(24,31)8/h9,21-25,34H,10-19H2,1-8H3,(H,35,36)/t21-,22+,23+,24+,25-,29-,30-,31+,32+,33-/m0/s1 |
| InChIKey | VWEPILNMGZRUTF-QYMODMSQSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LGAh55iSLyB |
|---|---|
| Name | STACHLIC-ACID-C;3-BETA,23-O-ISOPROPYLIDENYL-2-ALPHA,3-BETA,23-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-27(2)13-15-33(26(35)36)16-14-31(7)20(21(33)17-27)9-10-24-29(5)18-22(34)25-30(6,19-37-28(3,4)38-25)23(29)11-12-32(24,31)8/h9,21-25,34H,10-19H2,1-8H3,(H,35,36)/t21-,22+,23+,24+,25-,29-,30-,31+,32+,33-/m0/s1 |
| InChIKey | VWEPILNMGZRUTF-QYMODMSQSA-N |
| Literature Reference Author | Y.S.WANG,R.HUANG,N.Z.LI,H.Y.XU,J.H.YANG |
| Literature Reference Citation | MOLECULES,15,2096(2010) |
| Literature Reference DOI | 10.3390/molecules15042096 |
| Molecular Weight | 528.773 g/mol |
| Sample ID | 70196 |
| Solvent | CDCl3 |