| SpectraBase Compound ID | 3leUkhC74z8 |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-17(2)28(16-31-28)13-8-18(3)21-6-7-22-25-23(10-12-27(21,22)5)26(4)11-9-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,29-30H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-,28?/m1/s1 |
| InChIKey | NEKARFIZRJHOEJ-ZNCVFNLDSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78Q6mORXolS |
|---|---|
| Name | 3-BETA,7-ALPHA-DIHYDROXY-24,28-EPOXYERGOST-5-ENE;ISOMER-#2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-17(2)28(16-31-28)13-8-18(3)21-6-7-22-25-23(10-12-27(21,22)5)26(4)11-9-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,29-30H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-,28?/m1/s1 |
| InChIKey | NEKARFIZRJHOEJ-ZNCVFNLDSA-N |
| Literature Reference Author | C.E.HELTZEL,A.A.L.GUNATILAKA,D.G.I.KINGSTON,G.A.HOFMANN,R.K. JOHNSON |
| Literature Reference Citation | J.NAT.PROD.,57,620(1994) |
| Literature Reference DOI | 10.1021/np50107a009 |
| Molecular Weight | 430.671 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWFP503 |