| SpectraBase Compound ID | LCsi7cHUbsA |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-20(34)37-25-11-12-29(5)23(27(25,2)3)10-13-31(7)24(29)9-8-21-22-18-28(4,19-33)14-16-32(22,26(35)36)17-15-30(21,31)6/h8,22-25,33H,9-19H2,1-7H3,(H,35,36)/t22?,23?,24?,25-,28-,29+,30-,31-,32?/m1/s1 |
| InChIKey | HLDAFIXNKURRBH-SDAAGYAISA-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 | LprSu141NdP |
|---|---|
| Name | 3.alpha.-O-Acetyl-Mesembryanthemoidigenic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-20(34)37-25-11-12-29(5)23(27(25,2)3)10-13-31(7)24(29)9-8-21-22-18-28(4,19-33)14-16-32(22,26(35)36)17-15-30(21,31)6/h8,22-25,33H,9-19H2,1-7H3,(H,35,36)/t22?,23?,24?,25-,28-,29+,30-,31-,32?/m1/s1 |
| InChIKey | HLDAFIXNKURRBH-SDAAGYAISA-N |
| Molecular Weight | 514.747 g/mol |
| SMILES | OC[C@]1(CC2C=3[C@@](CCC2(C(=O)O)CC1)([C@@]1(CCC2C([C@@](CC[C@@]2(C1CC3)C)(OC(=O)C)[H])(C)C)C)C)C |
| SPLASH | splash10-0gx0-0290000000-01e496272f2ecb984e2e |
| Source of Spectrum | X2-52-628-13 |
| Wiley ID | 1603116 |