| SpectraBase Spectrum ID |
CyB5fWh17h5 |
| Name |
8-o-Acetoacetyl-15-hydroxy-epi-aplysin-20 [8-o-acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxypent-3-en-1-yl)decahydronaphthalene] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.203172732 u |
| Formula |
C24H39BrO4 |
| InChI |
InChI=1S/C24H39BrO4/c1-16(11-14-26)7-8-19-23(5)12-10-20(25)22(3,4)18(23)9-13-24(19,6)29-21(28)15-17(2)27/h11,18-20,26H,7-10,12-15H2,1-6H3/b16-11+/t18-,19?,20-,23-,24+/m1/s1 |
| InChIKey |
XXCJLBPVIKJPKN-CBSRYQDSSA-N |
| Molecular Weight |
471.476 g/mol |
| SMILES |
[C@]12([C@@](C(C)(C)[C@@](CC2)(Br)[H])(CC[C@@](C1CC\C(=C\CO)C)(OC(CC(=O)C)=O)C)[H])C |
![8-o-Acetoacetyl-15-hydroxy-epi-aplysin-20 [8-o-acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxypent-3-en-1-yl)decahydronaphthalene]](/api/spectrum/CyB5fWh17h5/structure.png?h=300&w=458 "8-o-Acetoacetyl-15-hydroxy-epi-aplysin-20 [8-o-acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxypent-3-en-1-yl)decahydronaphthalene]")
