| SpectraBase Compound ID | IsKvSLYkPRW |
|---|---|
| InChI | InChI=1S/C36H50O12/c1-10-19(4)28(40)47-29-31(5,6)22(15-24(37)43-9)33(8)21-11-13-32(7)23(16-25(38)45-26(32)20-12-14-44-17-20)34(21)30(46-27(39)18(2)3)35(29,41)36(33,42)48-34/h12,14,17-19,21-23,26,29-30,41-42H,10-11,13,15-16H2,1-9H3/t19-,21-,22+,23-,26+,29+,30+,32-,33-,34-,35+,36-/m1/s1 |
| InChIKey | FYBBXQFDHREXPF-QDRLZVAASA-N |
| Mol Weight | 674.8 g/mol |
| Molecular Formula | C36H50O12 |
| Exact Mass | 674.330227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGPmqEQ7dfR |
|---|---|
| Name | XYLORUMPHIIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O12 |
| InChI | InChI=1S/C36H50O12/c1-10-19(4)28(40)47-29-31(5,6)22(15-24(37)43-9)33(8)21-11-13-32(7)23(16-25(38)45-26(32)20-12-14-44-17-20)34(21)30(46-27(39)18(2)3)35(29,41)36(33,42)48-34/h12,14,17-19,21-23,26,29-30,41-42H,10-11,13,15-16H2,1-9H3/t19-,21-,22+,23-,26+,29+,30+,32-,33-,34-,35+,36-/m1/s1 |
| InChIKey | FYBBXQFDHREXPF-QDRLZVAASA-N |
| Literature Reference Author | C.SARIGAPUTI,T.NUANYAI,T.TEERAWATANANOND,S.PENGPREECHA,N.MUA NGSIN,K.PUDHOM |
| Literature Reference Citation | J.NAT.PROD.,73,1456(2010) |
| Literature Reference DOI | 10.1021/np100423w |
| Molecular Weight | 674.786 g/mol |
| Sample ID | 36275 |
| Solvent | CDCl3 |