| SpectraBase Compound ID | 4EpL0uCCAnu |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21?,23-,25?,26?,27?,28?,29?,30?,31?/m0/s1 |
| InChIKey | IZEUIYYDWBKERE-VJTHKXBTSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gq1SDOFN5yU |
|---|---|
| Name | Porifera steryl acetate-II |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21?,23-,25?,26?,27?,28?,29?,30?,31?/m0/s1 |
| InChIKey | IZEUIYYDWBKERE-VJTHKXBTSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | C12(C(C3CC=C4C(C3CC2)(CCC(OC(=O)C)C4)C)CCC1C(\C=C\[C@@](C(C)C)(CC)[H])C)C |
| SPLASH | splash10-0006-0049000000-b79ef371b28ab57df25c |
| Source of Spectrum | Y1-36-345-3 |
| Wiley ID | 1527038 |