| SpectraBase Compound ID | HKf6GTU14jB |
|---|---|
| InChI | InChI=1S/C50H79NO11/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-40(53)62-49-29-37(58-6)33-27-34(41(49)43(33)61-47(54)32-24-25-35(56-4)36(26-32)57-5)50-39(59-7)28-38(52)48(31-55-3)30-51(10-2)46(50)42(49)44(60-8)45(48)50/h24-26,33-34,37-39,41-46,52H,9-23,27-31H2,1-8H3/t33-,34-,37+,38-,39+,41-,42?,43+,44+,45-,46?,48+,49-,50+/m1/s1 |
| InChIKey | KZKSBDHXFPQNNW-STBUCWELSA-N |
| Mol Weight | 870.2 g/mol |
| Molecular Formula | C50H79NO11 |
| Exact Mass | 869.565312 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HihUMJptEH4 |
|---|---|
| Name | Falconerine-8-Palmitate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H79NO11 |
| InChI | InChI=1S/C50H79NO11/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-40(53)62-49-29-37(58-6)33-27-34(41(49)43(33)61-47(54)32-24-25-35(56-4)36(26-32)57-5)50-39(59-7)28-38(52)48(31-55-3)30-51(10-2)46(50)42(49)44(60-8)45(48)50/h24-26,33-34,37-39,41-46,52H,9-23,27-31H2,1-8H3/t33-,34-,37+,38-,39+,41-,42?,43+,44+,45-,46?,48+,49-,50+/m1/s1 |
| InChIKey | KZKSBDHXFPQNNW-STBUCWELSA-N |
| Molecular Weight | 870.178 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]3([C@@]4(C(C([C@@]5([C@@]6([C@]4(C[C@@]([C@@]6(OC(c4cc(OC)c(cc4)OC)=O)[H])([C@](C5)(OC)[H])[H])[H])[H])OC(=O)CCCCCCCCCCCCCCC)[C@@]3(OC)[H])N(C2)CC)[C@](C1)(OC)[H])[H])COC)[H] |
| SPLASH | splash10-014l-9710210000-6558034b68327256e9bc |
| Source of Spectrum | X2-57-969-18 |
| Wiley ID | 1605572 |