| SpectraBase Compound ID | AQBywksHI9d |
|---|---|
| InChI | InChI=1S/C29H44O4/c1-18(7-8-19(2)27(31)32-6)24-11-12-25-23-10-9-21-17-22(33-20(3)30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,18,22-26H,2,7-8,10-17H2,1,3-6H3/t18-,22+,23?,24?,25?,26?,28+,29-/m1/s1 |
| InChIKey | VYZLIYSYTNBQDX-ZJOVEKNFSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C29H44O4 |
| Exact Mass | 456.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQTLxm7k4Hb |
|---|---|
| Name | Methyl 3.beta.-Acetoxy-23a-homo-23a-methylene-5-cholen-24-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O4 |
| InChI | InChI=1S/C29H44O4/c1-18(7-8-19(2)27(31)32-6)24-11-12-25-23-10-9-21-17-22(33-20(3)30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,18,22-26H,2,7-8,10-17H2,1,3-6H3/t18-,22+,23?,24?,25?,26?,28+,29-/m1/s1 |
| InChIKey | VYZLIYSYTNBQDX-ZJOVEKNFSA-N |
| Molecular Weight | 456.667 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CCC1[C@@](CCC(C(=O)OC)=C)(C)[H])C |
| SPLASH | splash10-0002-0029000000-94ec66f99936cf6fafb9 |
| Source of Spectrum | OV-1-293-13 |
| Wiley ID | 1547571 |