| SpectraBase Compound ID | 9BLs0AwXQMq |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17(2)14-18-15-19(26(33)34-18)20-8-9-21-28(20,5)12-10-22-29(6)13-11-24(31)27(3,4)23(29)16-25(32)30(21,22)7/h9,14,18-20,22-23,25-26,32-33H,8,10-13,15-16H2,1-7H3/t18?,19?,20-,22+,23-,25+,26+,28-,29+,30-/m0/s1 |
| InChIKey | LYHFQGGNISJWOG-UPXILXMGSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Mwz81gnVDp |
|---|---|
| Name | 21,23-EPOXY-7-ALPHA,21-ALPHA-DIHYDROXY-APOTIRUCALLA-14,24-DIEN-3-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17(2)14-18-15-19(26(33)34-18)20-8-9-21-28(20,5)12-10-22-29(6)13-11-24(31)27(3,4)23(29)16-25(32)30(21,22)7/h9,14,18-20,22-23,25-26,32-33H,8,10-13,15-16H2,1-7H3/t18?,19?,20-,22+,23-,25+,26+,28-,29+,30-/m0/s1 |
| InChIKey | LYHFQGGNISJWOG-UPXILXMGSA-N |
| Literature Reference Author | W.D.S.TERRA,I.J.C.VIEIRA,R.BRAZ-FILHO,W.R.D.FREITAS,M.M.KANA SHIRO,M.C.M.TORRES |
| Literature Reference Citation | MOLECULES,18,12180(2013) |
| Literature Reference DOI | 10.3390/molecules181012180 |
| Molecular Weight | 470.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9573 |