| SpectraBase Compound ID | Ffj7mCX0ET7 |
|---|---|
| InChI | InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(48)49-40-29-31-45(7)38(43(40,4)5)28-32-47(9)39(45)26-25-37-42-36(3)35(2)27-30-44(42,6)33-34-46(37,47)8/h25,35-36,38-40,42H,10-24,26-34H2,1-9H3/t35-,36+,38?,39?,40+,42?,44-,45+,46-,47-/m1/s1 |
| InChIKey | WCIOCCLASQVYIC-HRSXTKDSSA-N |
| Mol Weight | 679.2 g/mol |
| Molecular Formula | C47H82O2 |
| Exact Mass | 678.631482 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AugkL1gLl2A |
|---|---|
| Name | a-amyryl heptadecanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H82O2 |
| InChI | InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(48)49-40-29-31-45(7)38(43(40,4)5)28-32-47(9)39(45)26-25-37-42-36(3)35(2)27-30-44(42,6)33-34-46(37,47)8/h25,35-36,38-40,42H,10-24,26-34H2,1-9H3/t35-,36+,38?,39?,40+,42?,44-,45+,46-,47-/m1/s1 |
| InChIKey | WCIOCCLASQVYIC-HRSXTKDSSA-N |
| Molecular Weight | 679.171 g/mol |
| SMILES | C1=2[C@]([C@@]3(CCC4[C@@](C3CC2)(CC[C@](OC(=O)CCCCCCCCCCCCCCCC)(C4(C)C)[H])C)C)(CC[C@@]2(C1[C@]([C@@](CC2)(C)[H])(C)[H])C)C |
| SPLASH | splash10-0f79-0960100000-3c1b2ddc987382847f28 |
| Source of Spectrum | O-32-1358-9 |
| Synonyms | (3beta)-urs-12-en-3-yl heptadecanoate .alpha.-Amyryl heptadecanoate |
| Wiley ID | 762965 |