| SpectraBase Compound ID | Gle4iEymOUs |
|---|---|
| InChI | InChI=1S/C48H78O3/c1-34(2)37-28-40-22-16-13-20-26-47(50)32-39(36(5)6)30-42(45(47,11)12)24-18-15-21-27-48(51)33-38(35(3)4)29-41(44(48,9)10)23-17-14-19-25-46(49,31-37)43(40,7)8/h13-15,19-21,37-42,49-51H,1,3,5,16-18,22-33H2,2,4,6-12H3/b19-14+,20-13+,21-15+/t37-,38-,39-,40+,41+,42+,46+,47+,48+/m0/s1 |
| InChIKey | ZZVPPEVTOGAWNB-BPUFYQHASA-N |
| Mol Weight | 703.1 g/mol |
| Molecular Formula | C48H78O3 |
| Exact Mass | 702.595096 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 41KAcvk4w74 |
|---|---|
| Name | (E,E,E)-3,13,23-Tri(1-methyleneethyl)-1,5:11,14:21,25-triisopropylidenecyclotetracosa-8,18,28-triene-1,11,21-triol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H78O3 |
| InChI | InChI=1S/C48H78O3/c1-34(2)37-28-40-22-16-13-20-26-47(50)32-39(36(5)6)30-42(45(47,11)12)24-18-15-21-27-48(51)33-38(35(3)4)29-41(44(48,9)10)23-17-14-19-25-46(49,31-37)43(40,7)8/h13-15,19-21,37-42,49-51H,1,3,5,16-18,22-33H2,2,4,6-12H3/b19-14+,20-13+,21-15+/t37-,38-,39-,40+,41+,42+,46+,47+,48+/m0/s1 |
| InChIKey | ZZVPPEVTOGAWNB-BPUFYQHASA-N |
| Molecular Weight | 703.149 g/mol |
| SMILES | O[C@]12C\C=C\CC[C@]3(C([C@@](C\C=C\CC[C@]4(C([C@@](C\C=C\CC[C@@](C2(C)C)(C[C@@](C1)(C(=C)C)[H])[H])(C[C@](C4)(C(=C)C)[H])O)(C)C)[H])(C[C@](C3)(C(=C)C)[H])O)(C)C)[H] |
| SPLASH | splash10-05tb-2910000000-1d65427ff5a56959adba |
| Source of Spectrum | Y1-46-3382-20 |
| Wiley ID | 1622478 |