| SpectraBase Spectrum ID |
BAW6MNkMBKl |
| Name |
Daphnetoxin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30O8 |
| InChI |
InChI=1S/C27H30O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-10,15,17-18,20-22,28,30-31H,1,11-12H2,2-4H3/t15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27-/m1/s1 |
| InChIKey |
LGEROVMQYFTBDI-FFIGBMOQSA-N |
| Literature Reference DOI |
10.1002/cjoc.19850030306 |
| Molecular Weight |
482.529 g/mol |
| SMILES |
O[C@]12[C@@]([C@@]3(CO)O[C@]3([C@]3([C@]4(O[C@@]5(O[C@]4(C[C@]([C@@]3([C@@]1(C=C(C2=O)C)[H])O5)(C)[H])C(C)=C)c1ccccc1)[H])[H])[H])(O)[H] |
| SPLASH |
splash10-0ce9-0595300000-b84292eb174c4ab02e45 |
| Source of Spectrum |
SI-3-221-10 |
| Synonyms |
(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10aR)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-6-one |
| Wiley ID |
1813314 |
