| SpectraBase Compound ID | 8fbqlgzSQgY |
|---|---|
| InChI | InChI=1S/C72H118O8/c1-7-77-67(73)59(63-31-29-61-57-27-25-51-49-55(79-53-37-45-75-46-38-53)33-41-69(51,3)65(57)35-43-71(61,63)5)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-60(68(74)78-8-2)64-32-30-62-58-28-26-52-50-56(80-54-39-47-76-48-40-54)34-42-70(52,4)66(58)36-44-72(62,64)6/h25-26,53-66H,7-24,27-50H2,1-6H3/t55?,56?,57?,58?,59-,60-,61?,62?,63-,64-,65?,66?,69+,70+,71+,72+/m1/s1 |
| InChIKey | CQYGVRSQQMTFCV-VJKCDMQESA-N |
| Mol Weight | 1111.7 g/mol |
| Molecular Formula | C72H118O8 |
| Exact Mass | 1110.882671 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7293ppaeIOz |
|---|---|
| Name | 3-(Tetrahydropyranyloxy)-.alphe.(octyl)pregna-5-enoic acid ethyl ester dimer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C72H118O8 |
| InChI | InChI=1S/C72H118O8/c1-7-77-67(73)59(63-31-29-61-57-27-25-51-49-55(79-53-37-45-75-46-38-53)33-41-69(51,3)65(57)35-43-71(61,63)5)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-60(68(74)78-8-2)64-32-30-62-58-28-26-52-50-56(80-54-39-47-76-48-40-54)34-42-70(52,4)66(58)36-44-72(62,64)6/h25-26,53-66H,7-24,27-50H2,1-6H3/t55?,56?,57?,58?,59-,60-,61?,62?,63-,64-,65?,66?,69+,70+,71+,72+/m1/s1 |
| InChIKey | CQYGVRSQQMTFCV-VJKCDMQESA-N |
| Molecular Weight | 1111.728 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(OC2CCOCC2)C4)C)CC[C@@]1([C@](C(=O)OCC)(CCCCCCCCCCCCCCCC[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CCC(OC2CCOCC2)C4)C)CC1)C)[H])(C(=O)OCC)[H])[H])[H])C |
| SPLASH | splash10-0zgi-0050002091-85d69d0366afabd8e1d5 |
| Source of Spectrum | F-53-10588-12bq |
| Wiley ID | 803148 |