| SpectraBase Compound ID | FcFlPxfVi5R |
|---|---|
| InChI | InChI=1S/C29H42O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | PWLXSTCKBUDQDW-QEIMIMDFSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H42O5 |
| Exact Mass | 470.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 96lqIyDZXzF |
|---|---|
| Name | (25R)-3.beta-.Acetoxyspirost-5-en-23-one |
| Alternate Name(s) | (25R)-3..beta.-.acetoxyspirost-5-en-23-one (3beta,25R)-23-oxospirost-5-en-3-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O5 |
| InChI | InChI=1S/C29H42O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28+,29+/m1/s1 |
| InChIKey | PWLXSTCKBUDQDW-QEIMIMDFSA-N |
| Molecular Weight | 470.650 g/mol |
| SMILES | [C@]12(O[C@]3(C[C@@]4([C@@]([C@]3([C@@]2(C)[H])[H])(CC[C@@]2([C@@]3(C(C[C@@](OC(=O)C)(CC3)[H])=CC[C@@]42[H])C)[H])C)[H])[H])OC[C@@](CC1=O)(C)[H] |
| SPLASH | splash10-0ugc-0049400000-0f33c3a84c47a7dd5acc |
| Source of Spectrum | J-63-6361-0 |
| Wiley ID | 1392931 |