| SpectraBase Compound ID | 7xjALzUW1Cq |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25+,26?,27-,28-,31+,32+,33-/m0/s1 |
| InChIKey | VDYCLYGKCGVBHN-MVHFFILKSA-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 | BaeJZrL3RgH |
|---|---|
| Name | PACHYMIC-ACID;3-BETA-ACETYLOXY-16-ALPHA-HYDROXY-24-METHYLENELANOSTA-8-EN-21-OIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25+,26?,27-,28-,31+,32+,33-/m0/s1 |
| InChIKey | VDYCLYGKCGVBHN-MVHFFILKSA-N |
| Literature Reference Author | A.C.KELLER,M.P.MAILLARD,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,41,1041(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00762-8 |
| Molecular Weight | 528.773 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4221 |