| SpectraBase Spectrum ID |
HN5Hrmktrl5 |
| Name |
12-Benzoyloxydaphnetoxin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H34O10 |
| InChI |
InChI=1S/C34H34O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-15,19,22-23,25-27,29,35,38-39H,1,16H2,2-4H3/t19-,22-,23+,25-,26+,27-,29-,30+,31-,32+,33+,34-/m1/s1 |
| InChIKey |
QKMXESBAFIKRAD-MGAVNPOISA-N |
| Literature Reference DOI |
10.1002/cjoc.19850030306 |
| Molecular Weight |
602.636 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])(O[C](c1ccccc1)#[O])[H])C(C)=C)c1ccccc1)[H])[H])[H])(O)[H] |
| SPLASH |
splash10-0zfr-0338239000-b56c89257fd27a9be3fa |
| Source of Spectrum |
SI-3-219-3 |
| Synonyms |
(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aR)-5,5a-dihydroxy-4a-(hydroxymethyl)-10-(lambda3-oxidaneylidyne(phenyl)-lambda5-methyllambda3-oxidaneylidyne(phenyl)methoxy)-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 |
1813317 |
