| SpectraBase Compound ID | B4ZttPfxysP |
|---|---|
| InChI | InChI=1S/C27H44O8/c1-23(2,33)9-8-20(30)26(5,34)19-7-11-27(35)15-12-17(28)16-13-18(29)21(31)22(32)25(16,4)14(15)6-10-24(19,27)3/h12,14,16,18-22,29-35H,6-11,13H2,1-5H3/t14?,16-,18+,19-,20+,21+,22-,24+,25+,26?,27+/m0/s1 |
| InChIKey | VJRBXZFHKYDEQV-ASJFMRMISA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C27H44O8 |
| Exact Mass | 496.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMm9vOQJ9u2 |
|---|---|
| Name | 1-ALPHA,20R-DIHYDROXYECDYSONE;1-EPI-INTEGRISTERONE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O8 |
| InChI | InChI=1S/C27H44O8/c1-23(2,33)9-8-20(30)26(5,34)19-7-11-27(35)15-12-17(28)16-13-18(29)21(31)22(32)25(16,4)14(15)6-10-24(19,27)3/h12,14,16,18-22,29-35H,6-11,13H2,1-5H3/t14?,16-,18+,19-,20+,21+,22-,24+,25+,26?,27+/m0/s1 |
| InChIKey | VJRBXZFHKYDEQV-ASJFMRMISA-N |
| Literature Reference Author | S.D.SARKER,V.SIK,H.H.REES,L.DINAN |
| Literature Reference Citation | PHYTOCHEM.,49,2305(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00446-4 |
| Molecular Weight | 496.642 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU982 |