| SpectraBase Compound ID | 695ZFStGDEK |
|---|---|
| InChI | InChI=1S/C26H34O8/c1-12(27)33-22-19(13-4-7-18(30)32-11-13)25(3)10-17(29)20-14(26(25)23(22)34-26)5-6-15-21(31)16(28)8-9-24(15,20)2/h4,7,11,14-17,19-23,28-29,31H,5-6,8-10H2,1-3H3/t14?,15-,16+,17-,19+,20?,21-,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | STOLRIBGYSQJJQ-DQAAFZDRSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C26H34O8 |
| Exact Mass | 474.225368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8CLbSD2um1 |
|---|---|
| Name | 4-BETA,11-ALPHA-DIHYDROXYCINOBUFAGIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O8 |
| InChI | InChI=1S/C26H34O8/c1-12(27)33-22-19(13-4-7-18(30)32-11-13)25(3)10-17(29)20-14(26(25)23(22)34-26)5-6-15-21(31)16(28)8-9-24(15,20)2/h4,7,11,14-17,19-23,28-29,31H,5-6,8-10H2,1-3H3/t14?,15-,16+,17-,19+,20?,21-,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | STOLRIBGYSQJJQ-DQAAFZDRSA-N |
| Literature Reference Author | X.C.MA,X.L.XIN,K.X.LIU,J.HAN,D.A.GUO |
| Literature Reference Citation | J.NAT.PROD.,71,1268(2008) |
| Literature Reference DOI | 10.1021/np800210a |
| Molecular Weight | 474.551 g/mol |
| Sample ID | 28736 |
| Solvent | DMSO-D6 |