| SpectraBase Compound ID | 17V0cl1rGft |
|---|---|
| InChI | InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40-,41?,42?,43-,47+,48-,49+,50+/m0/s1 |
| InChIKey | KWGUACFRAIZODN-SJJMOSCBSA-N |
| Mol Weight | 721.3 g/mol |
| Molecular Formula | C50H88O2 |
| Exact Mass | 720.678432 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LVvgePRiC1h |
|---|---|
| Name | b-amyryl eicosanoate |
| Alternate Name(s) | (3beta)-olean-12-en-3-yl icosanoate .beta.-Amyryl eicosadecanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H88O2 |
| InChI | InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40-,41?,42?,43-,47+,48-,49+,50+/m0/s1 |
| InChIKey | KWGUACFRAIZODN-SJJMOSCBSA-N |
| Molecular Weight | 721.252 g/mol |
| SMILES | [C@]12(C([C@@]3(CC(C)(C)CC[C@@]3(CC2)C)[H])=CCC2[C@]3(CC[C@@](C(C3CC[C@@]12C)(C)C)(OC(=O)CCCCCCCCCCCCCCCCCCC)[H])C)C |
| SPLASH | splash10-014i-0190000000-97ca9f29353a48993035 |
| Source of Spectrum | O-32-1356-0 |
| Wiley ID | 1415644 |