| SpectraBase Spectrum ID |
8sKe3qTrhH3 |
| Name |
Exocoecaritoxin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H40O8 |
| InChI |
InChI=1S/C30H40O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h10-14,19-21,23-25,31,33-34H,2,6-9,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1 |
| InChIKey |
CZCPFHFUOUQBDL-JDVVNZBPSA-N |
| Molecular Weight |
528.642 g/mol |
| SMILES |
OC[C@@]12[C@]([C@@]3([C@]4([C@@]5(C=C(C([C@]5([C@@]2(O)[H])O)=O)C)[H])O[C@]2(O[C@]([C@@]3(O2)[H])(C[C@]4(C)[H])C(=C)C)C=CC=CCCCCC)[H])(O1)[H] |
| SPLASH |
splash10-0ue9-0698230000-f811e443ad9a06d97d37 |
| Source of Spectrum |
SI-3-219-11 |
| Synonyms |
(3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10aR)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-(nona-1,3-dien-1-yl)-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 |
1813315 |
