| SpectraBase Compound ID | LpLWjukBcgx |
|---|---|
| InChI | InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17-,18+,19+,20-,22+,23+,24-,26-,27-,28-/m1/s1 |
| InChIKey | RITHKXDOKOLLCZ-PXRUYVGHSA-N |
| Mol Weight | 443.7 g/mol |
| Molecular Formula | C28H45NO3 |
| Exact Mass | 443.339944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ZikPPjSgha |
|---|---|
| Name | Puqienine B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45NO3 |
| InChI | InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17-,18+,19+,20-,22+,23+,24-,26-,27-,28-/m1/s1 |
| InChIKey | RITHKXDOKOLLCZ-PXRUYVGHSA-N |
| Molecular Weight | 443.672 g/mol |
| SMILES | O[C@@]1(C[C@](CN([C@@]1([C@@]([C@@]1(C(=C2C[C@@]3([C@]4(CC[C@@](C[C@@]4(C(C[C@]3([C@@]2(CC1)[H])[H])=O)[H])(O)[H])C)[H])C)[H])(C)[H])[H])C)(C)[H])[H] |
| SPLASH | splash10-004i-0900000000-1296dd90134c79aacde5 |
| Source of Spectrum | X2-68-267-2 |
| Wiley ID | 1609456 |