| SpectraBase Compound ID | DC9753xRCWW |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21?,22?,23?,24?,27-,28+,29-,30-,31+/m1/s1 |
| InChIKey | APWKRIUMZUJNPQ-FFXLZVMESA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 322VSJzzM94 |
|---|---|
| Name | Methyl 3-Hydroxy-29-hydroxy-olean-12-en-28-oate |
| Alternate Name(s) | Methyl (20alpha)-3,29-dihydroxyolean-12-en-28-oate Methyl 3-Acetoxy-29-hydroxy-olean-12-en-28-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-27(3,19-32)14-16-31(21,25(34)35-7)17-15-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3/t21?,22?,23?,24?,27-,28+,29-,30-,31+/m1/s1 |
| InChIKey | APWKRIUMZUJNPQ-FFXLZVMESA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC[C@]1(CC2C=3[C@]([C@@]4(CCC5C(C(CC[C@@]5(C4CC3)C)O)(C)C)C)(CC[C@]2(CC1)C(=O)OC)C)C |
| SPLASH | splash10-0002-0090000000-380f74ad858ae5051b35 |
| Source of Spectrum | X2-47-982-2 |
| Wiley ID | 1601559 |