| SpectraBase Compound ID | I8QIwQ3UIeN |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22?,23-,24-,25-,28+,29-,30-,31-,32+/m1/s1 |
| InChIKey | KIJYSICAJWQCER-LDIJYCAGSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 48Dt9ug4SOE |
|---|---|
| Name | 3-epi-pomolic acid-3.alpha.-acetate |
| Alternate Name(s) | 3.alpha.-Acetoxy-19.alpha.-hydroxy-ursa-12-en-28-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22?,23-,24-,25-,28+,29-,30-,31-,32+/m1/s1 |
| InChIKey | KIJYSICAJWQCER-LDIJYCAGSA-N |
| Molecular Weight | 514.747 g/mol |
| SMILES | O[C@]1([C@@]2([C@@](C(=O)O)(CC[C@@]3(C2=CC[C@@]2([C@@]4(C(CC[C@@]32C)C([C@@](CC4)(OC(=O)C)[H])(C)C)C)[H])C)CC[C@]1(C)[H])[H])C |
| SPLASH | splash10-0f75-0940000000-9d84a251a6f3ae907575 |
| Source of Spectrum | G4-69-1094-1 |
| Wiley ID | 1694442 |