| SpectraBase Compound ID | 556uwh3IHhF |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)36-34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h12,22-26,34H,10-11,13-19H2,1-9H3/t22?,23?,24?,25-,26?,28+,29-,30+,31+,32?/m0/s1 |
| InChIKey | JTFKVADIYDJEPD-JRVAPYNFSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HtvwDXsPHlS |
|---|---|
| Name | 3.beta.-Acetoxy-10.alpha.-(hydroperoxy)-20-taraxastene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)36-34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h12,22-26,34H,10-11,13-19H2,1-9H3/t22?,23?,24?,25-,26?,28+,29-,30+,31+,32?/m0/s1 |
| InChIKey | JTFKVADIYDJEPD-JRVAPYNFSA-N |
| Molecular Weight | 500.764 g/mol |
| SMILES | OOC1(C2C3[C@]([C@]4(C([C@]5(CC[C@@](C(C5CC4)(C)C)(OC(=O)C)[H])C)CC3)C)(CC[C@]2(CC=C1C)C)C)C |
| SPLASH | splash10-00kr-0920100000-1743e046ef8c856182af |
| Source of Spectrum | G4-63-900-6 |
| Synonyms | (3beta)-19-hydroperoxyurs-20-en-3-yl acetate |
| Wiley ID | 1608486 |