| SpectraBase Compound ID | CLMK5qpnCeY |
|---|---|
| InChI | InChI=1S/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+/t22-,24-,25-,26-,28-,29+/m0/s1 |
| InChIKey | YHRYKMQBQALRPC-NBRNKRCBSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H42O5 |
| Exact Mass | 470.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I33VASj0nGa |
|---|---|
| Name | CHAXALACTIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O5 |
| InChI | InChI=1S/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+/t22-,24-,25-,26-,28-,29+/m0/s1 |
| InChIKey | YHRYKMQBQALRPC-NBRNKRCBSA-N |
| Literature Reference Author | M.E.RATEB,W.E.HOUSSEN,W.T.A.HARRISON,H.DENG,C.K.OKORO,J.A.AS ENJO,B.A.ANDREWS,A.T |
| Literature Reference Citation | J.NAT.PROD.,74,1965(2011) |
| Literature Reference DOI | 10.1021/np200470u |
| Molecular Weight | 470.649 g/mol |
| Sample ID | 39251 |
| Solvent | CDCl3 |