| SpectraBase Compound ID | 2MW4ZNQqyWc |
|---|---|
| InChI | InChI=1S/C26H40O4/c1-15-23-22(30-24(3,4)29-15)14-21-19-8-7-17-13-18(28-16(2)27)9-11-25(17,5)20(19)10-12-26(21,23)6/h7,15,18-23H,8-14H2,1-6H3/t15?,18-,19+,20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | CMYGFNMKMPCOAM-QNTXRXQESA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C26H40O4 |
| Exact Mass | 416.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNF0qskhyZo |
|---|---|
| Name | 3-ACETYL-DELTA(5)-PREGNENE-3-BETA,16-BETA,20(R)-TRIOL-16,20-ACETONIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40O4 |
| InChI | InChI=1S/C26H40O4/c1-15-23-22(30-24(3,4)29-15)14-21-19-8-7-17-13-18(28-16(2)27)9-11-25(17,5)20(19)10-12-26(21,23)6/h7,15,18-23H,8-14H2,1-6H3/t15?,18-,19+,20-,21-,22-,23-,25-,26-/m0/s1 |
| InChIKey | CMYGFNMKMPCOAM-QNTXRXQESA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | PHYTOCHEM.,27,1173(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80297-8 |
| Molecular Weight | 416.601 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1407 |