| SpectraBase Compound ID | I5Unk0vucx9 |
|---|---|
| InChI | InChI=1S/C38H56O10/c1-21(2)37-30(44-25(6)40)24(5)38-27-31-34(20-39,45-31)33(42)36(43)28(38)26(23(4)29(36)41)22(3)18-16-14-12-10-8-7-9-11-13-15-17-19-35(47-37,48-38)46-32(27)37/h17,19,22-24,26-28,30-33,39,42-43H,1,7-16,18,20H2,2-6H3/b19-17+/t22?,23?,24-,26+,27?,28-,30-,31+,32-,33-,34+,35-,36-,37+,38-/m1/s1 |
| InChIKey | VDECHLXUERWMCP-CDUUPQLTSA-N |
| Mol Weight | 672.9 g/mol |
| Molecular Formula | C38H56O10 |
| Exact Mass | 672.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kc8D085wCOO |
|---|---|
| Name | 1,2-DIHYDRO-5-BETA-HYDROXY-21-METHYL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-ACETOXY-9,13,14-ORTHO-1-ALPHA-(33E-PENTADECENOATE)-RESINIFERONOL-36-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56O10 |
| InChI | InChI=1S/C38H56O10/c1-21(2)37-30(44-25(6)40)24(5)38-27-31-34(20-39,45-31)33(42)36(43)28(38)26(23(4)29(36)41)22(3)18-16-14-12-10-8-7-9-11-13-15-17-19-35(47-37,48-38)46-32(27)37/h17,19,22-24,26-28,30-33,39,42-43H,1,7-16,18,20H2,2-6H3/b19-17+/t22?,23?,24-,26+,27?,28-,30-,31+,32-,33-,34+,35-,36-,37+,38-/m1/s1 |
| InChIKey | VDECHLXUERWMCP-CDUUPQLTSA-N |
| Literature Reference Author | W.HE,M.CIK,L.V.PUYVELDE,J.V.DUN,G.APPENDINO,A.LESAGE,I.V.D.L INDIN,J.E.LEYSEN,W.W |
| Literature Reference Citation | BIOORG.MED.CHEM.,10,3245(2002) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00163-3 |
| Molecular Weight | 672.857 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI24324 |