SpectraBase Compound ID | 19JWZyurrlW |
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InChI | InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19?,20+,22+,23+,24+/m1/s1 |
InChIKey | MDAMKPSXKUKLHO-ZRJXWHHBSA-N |
Mol Weight | 402.5 g/mol |
Molecular Formula | C24H34O5 |
Exact Mass | 402.240624 g/mol |
SpectraBase Spectrum ID | DSCTFnfer5u |
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Name | 12-ALPHA-HYDROXY-BUFALIN |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C24H34O5 |
InChI | InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17-,18-,19?,20+,22+,23+,24+/m1/s1 |
InChIKey | MDAMKPSXKUKLHO-ZRJXWHHBSA-N |
Literature Reference Author | M.YE,J.HAN,G.TU,D.AN,D.GUO |
Literature Reference Citation | J.NAT.PROD.,68,626(2005) |
Literature Reference DOI | 10.1021/np0500023 |
Molecular Weight | 402.531 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWMZ9372 |