Molecular Structure:
CAS No.:
54392-27-7
Product Name.:
CCD No.:CCD00901318
Formula:C60 H114 O8
MolWeight:963.553
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| Product Name： | SORBITAN, TRIISOOCTADECANOATE |
| CAS： | 54392-27-7 |
| English Synonyms： | SORBITAN, TRIISOOCTADECANOATE |
| MDL Number.： | MFCD09970995 |
| H bond acceptor： | 8 |
| H bond donor： | 1 |
| Smile： | CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)O |
| InChi： | InChI=1S/C60H114O8/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-56(62)65-49-54(61)59-60(68-58(64)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)55(50-66-59)67-57(63)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-55,59-61H,7-50H2,1-6H3/t54-,55+,59-,60-/m1/s1 |
| InChiKey： | InChIKey=WBKLLVHQDZJJGW-LLPUSWRMSA-N |
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