| SpectraBase Compound ID | 8bLywyDjreF |
|---|---|
| InChI | InChI=1S/C58H84O8/c1-35-7-21-51(59)63-31-32-64-52(60)22-8-36(2)46-18-20-48-44-16-14-40-34-42(24-28-56(40,4)50(44)26-30-58(46,48)6)66-54(62)38-11-9-37(10-12-38)53(61)65-41-23-27-55(3)39(33-41)13-15-43-47-19-17-45(35)57(47,5)29-25-49(43)55/h9-12,35-36,39-50H,7-8,13-34H2,1-6H3/t35-,36-,39?,40?,41-,42-,43?,44?,45-,46-,47?,48?,49?,50?,55+,56+,57-,58-/m1/s1 |
| InChIKey | DNAIEQABCUTYTQ-MIJWQEMRSA-N |
| Mol Weight | 909.3 g/mol |
| Molecular Formula | C58H84O8 |
| Exact Mass | 908.61662 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7QLMqpehdH8 |
|---|---|
| Name | Tetraphthalate of 3-.alpha.-hydroxy-5.beta.-chilan-24-oic axcid ethylene glycol diester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C58H84O8 |
| InChI | InChI=1S/C58H84O8/c1-35-7-21-51(59)63-31-32-64-52(60)22-8-36(2)46-18-20-48-44-16-14-40-34-42(24-28-56(40,4)50(44)26-30-58(46,48)6)66-54(62)38-11-9-37(10-12-38)53(61)65-41-23-27-55(3)39(33-41)13-15-43-47-19-17-45(35)57(47,5)29-25-49(43)55/h9-12,35-36,39-50H,7-8,13-34H2,1-6H3/t35-,36-,39?,40?,41-,42-,43?,44?,45-,46-,47?,48?,49?,50?,55+,56+,57-,58-/m1/s1 |
| InChIKey | DNAIEQABCUTYTQ-MIJWQEMRSA-N |
| Molecular Weight | 909.302 g/mol |
| SMILES | [C@@]12(C3C4CCC5[C@@](C4CC2)(CC[C@@](OC(c2ccc(C(O[C@]4(CC6CCC7C8[C@@]([C@@]([C@@](CCC(OCCOC(CC[C@]([C@]1(CC3)[H])(C)[H])=O)=O)(C)[H])(CC8)[H])(CCC7[C@]6(CC4)C)C)[H])=O)cc2)=O)(C5)[H])C)C |
| SPLASH | splash10-05n3-0079000200-9addf0b7b82be8de66be |
| Source of Spectrum | SO-0-1083-7 |
| Wiley ID | 873872 |