| SpectraBase Compound ID | Bq1FzuUDL8i |
|---|---|
| InChI | InChI=1S/C32H42O12/c1-16(35)42-22-12-32(40)21-5-4-18-11-19(43-29-28(39)27(38)26(37)23(13-33)44-29)7-10-31(18,15-34)20(21)8-9-30(32,2)25(22)17-3-6-24(36)41-14-17/h3,6,11,14-15,19-23,25-29,33,37-40H,4-5,7-10,12-13H2,1-2H3/t19-,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31+,32-/m0/s1 |
| InChIKey | JTVAVGRVPCYJKO-KKCVIFLDSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C32H42O12 |
| Exact Mass | 618.267627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNbxFJ1X1oZ |
|---|---|
| Name | URGININ_B;14-BETA-HYDROXY-19-BETA-OXOBUFA-4,20,22-TRIENOLIDE-16-ALPHA-O-ACETYL-3-BETA-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H42O12 |
| InChI | InChI=1S/C32H42O12/c1-16(35)42-22-12-32(40)21-5-4-18-11-19(43-29-28(39)27(38)26(37)23(13-33)44-29)7-10-31(18,15-34)20(21)8-9-30(32,2)25(22)17-3-6-24(36)41-14-17/h3,6,11,14-15,19-23,25-29,33,37-40H,4-5,7-10,12-13H2,1-2H3/t19-,20-,21+,22+,23+,25-,26+,27-,28+,29+,30+,31+,32-/m0/s1 |
| InChIKey | JTVAVGRVPCYJKO-KKCVIFLDSA-N |
| Literature Reference Author | Y.DAI,L.HARINANTENAINA,P.J.BRODIE,M.GOETZ,Y.SHEN,K.TENDYKE,D .G.I.KINGSTON |
| Literature Reference Citation | J.NAT.PROD.,76,865(2013) |
| Literature Reference DOI | 10.1021/np300900a |
| Molecular Weight | 618.678 g/mol |
| Sample ID | 42497 |
| Solvent | CD3OD |