InChIs
Version: 0.2
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ChemSpider ID: 18508868
SMILES: O[C@H]1CC(=O)[C@@H](CCCCCCC(O)=O)[C@@H]1/C=C/C(=O)CCCCC
Molecular Formula: C20H32O5
Molecular Weight: 352.4651
InChI (v1.02b): InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m0/s1
InChI Key (v1.02b): VXPBDCBTMSKCKZ-BKIHCVCIBR
InChI (v1.02b, fixedH): N/A
InChI Key (v1.02b, fixedH): N/A
InChI (v1.02s): InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m0/s1
InChI Key (v1.02s): VXPBDCBTMSKCKZ-BKIHCVCISA-N
InChI (v1.03): N/A
InChI Key (v1.03): N/A
 
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