| SpectraBase Compound ID | Jk2UgfZgWvt |
|---|---|
| InChI | InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25?,26?,27-,28-,31+,32+,33+/m0/s1 |
| InChIKey | NDNKBYRXHKLSJQ-JBCWVWEUSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C33H50O5 |
| Exact Mass | 526.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9fJnK5xz88S |
|---|---|
| Name | 15-ALPHA-ACETYL-DEHYDROSULPHURENIC-ACID;15-ALPHA-ACETOXY-24-METHYLENE-LANOSTA-7,9(11)-DIEN-3-BETA-OL-21-OIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O5 |
| InChI | InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25?,26?,27-,28-,31+,32+,33+/m0/s1 |
| InChIKey | NDNKBYRXHKLSJQ-JBCWVWEUSA-N |
| Literature Reference Author | S.W.YANG,Y.C.SHEN,C.H.CHEN |
| Literature Reference Citation | PHYTOCHEM.,41,1389(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00767-9 |
| Molecular Weight | 526.757 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4409 |