| SpectraBase Compound ID | B7fj0ziBs7B |
|---|---|
| InChI | InChI=1S/C37H44O10/c1-6-7-8-9-13-18-34-45-31-27-30-33(20-38,44-30)32(41)35(42)25(19-22(4)28(35)40)37(27,47-34)23(5)29(36(31,46-34)21(2)3)43-26(39)17-16-24-14-11-10-12-15-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b17-16+,18-13+/t23-,25+,27-,29+,30-,31+,32+,33-,34+,35+,36-,37-/m0/s1 |
| InChIKey | SBKXRMYYKDQAMZ-OOVVUJCOSA-N |
| Mol Weight | 648.7 g/mol |
| Molecular Formula | C37H44O10 |
| Exact Mass | 648.293448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRwsDbZsn8d |
|---|---|
| Name | HIRSEIN_A;5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-CINNAMOYLOXY-9,13,14-ORTHO-2-E-OCTANOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44O10 |
| InChI | InChI=1S/C37H44O10/c1-6-7-8-9-13-18-34-45-31-27-30-33(20-38,44-30)32(41)35(42)25(19-22(4)28(35)40)37(27,47-34)23(5)29(36(31,46-34)21(2)3)43-26(39)17-16-24-14-11-10-12-15-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b17-16+,18-13+/t23-,25+,27-,29+,30-,31+,32+,33-,34+,35+,36-,37-/m0/s1 |
| InChIKey | SBKXRMYYKDQAMZ-OOVVUJCOSA-N |
| Literature Reference Author | Y.MIYAMAE,M.O.VILLAREAL,M.B.ABDRABBAH,H.ISODA,H.SHIGEMORI |
| Literature Reference Citation | J.NAT.PROD.,72,938(2009) |
| Literature Reference DOI | 10.1021/np800808h |
| Molecular Weight | 648.750 g/mol |
| Sample ID | 32608 |
| Solvent | CDCl3 |