| SpectraBase Compound ID | ApbxB8w7jMR |
|---|---|
| InChI | InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40?,41?,42?,43?,45+,46-,47+,48-/m0/s1 |
| InChIKey | DQNQHBPMYYLQDU-JOCHTYRLSA-N |
| Mol Weight | 705.2 g/mol |
| Molecular Formula | C48H80O3 |
| Exact Mass | 704.610746 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9NUizmoEk09 |
|---|---|
| Name | Cycloeucalenol vernolitate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H80O3 |
| InChI | InChI=1S/C48H80O3/c1-9-10-17-20-41-42(50-41)21-18-15-13-11-12-14-16-19-22-44(49)51-40-28-30-47-33-48(47)32-31-45(7)38(36(5)24-23-35(4)34(2)3)27-29-46(45,8)43(48)26-25-39(47)37(40)6/h15,18,34,36-43H,4,9-14,16-17,19-33H2,1-3,5-8H3/b18-15-/t36?,37-,38?,39?,40?,41?,42?,43?,45+,46-,47+,48-/m0/s1 |
| InChIKey | DQNQHBPMYYLQDU-JOCHTYRLSA-N |
| Molecular Weight | 705.165 g/mol |
| SMILES | [C@]123[C@@]4(C([C@](C)(C(CC4)OC(=O)CCCCCCC\C=C/CC4OC4CCCCC)[H])CCC1[C@@]1(CCC([C@]1(CC2)C)C(CCC(=C)C(C)C)C)C)C3 |
| SPLASH | splash10-0a4l-0004900000-dc4885d6c14d8866353b |
| Source of Spectrum | QA-47-559-14 |
| Wiley ID | 863522 |