| SpectraBase Spectrum ID |
ALG42KOMbhA |
| Name |
((1R*,3R*,5S*,6R*,7S*,9Z*)-5-(2',3'-Diacetoxy-1',5'-dimethyl-4'-en-1'-yl)-2,8-dimethylenebicyclo[5.3.0]decan-3,6,8-triol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.246103492 u |
| Formula |
C24H36O7 |
| InChI |
InChI=1S/C24H36O7/c1-12(2)10-20(30-15(5)25)23(31-16(6)26)14(4)18-11-19(27)13(3)17-8-9-24(7,29)21(17)22(18)28/h8-10,14,17-23,27-29H,3,11H2,1-2,4-7H3/t14?,17-,18-,19+,20?,21+,22+,23?,24?/m0/s1 |
| InChIKey |
LFAMFSQHBFIPSM-GVLCHJLJSA-N |
| Molecular Weight |
436.545 g/mol |
| SMILES |
[C@@]12([C@]([C@@]([C@@](C(C(C(C=C(C)C)OC(=O)C)OC(=O)C)C)([H])C[C@](C2=C)(O)[H])(O)[H])(C(O)(C)C=C1)[H])[H] |
![((1R*,3R*,5S*,6R*,7S*,9Z*)-5-(2',3'-diacetoxy-1',5'-dimethyl-4'-en-1'-yl)-2,8-dimethylenebicyclo[5.3.0]decan-3,6,8-triol](/api/spectrum/ALG42KOMbhA/structure.png?h=300&w=458 "((1R*,3R*,5S*,6R*,7S*,9Z*)-5-(2',3'-diacetoxy-1',5'-dimethyl-4'-en-1'-yl)-2,8-dimethylenebicyclo[5.3.0]decan-3,6,8-triol")
