| SpectraBase Compound ID | C18jlCJWmq4 |
|---|---|
| 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-SMJMKRRKSA-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 | 6ewtOs7cW6k |
|---|---|
| Name | alpha-Amyrin Margarate |
| Copyright | Copyright © 2020-2025 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-SMJMKRRKSA-N |
| Molecular Weight | 679.171 g/mol |
| SMILES | C1C[C@]2([C@@](CC[C@@]3([C@@]2(CC=C2[C@]3(CC[C@@]3([C@]2([C@@](C)([C@](C)(CC3)[H])[H])[H])C)C)[H])C)(C(C)(C)[C@]1(OC(CCCCCCCCCCCCCCCC)=O)[H])[H])C |
| SPLASH | splash10-014r-0390000000-dac7bf605d7367eb4069 |
| Source of Spectrum | QA-50-301-1 |
| Synonyms | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl heptadecanoate |
| Wiley ID | 1795763 |