| SpectraBase Compound ID | Kh8f68l5RZG |
|---|---|
| InChI | InChI=1S/C38H48O2/c1-35-17-13-23(21-25(35)5-7-27-29-9-11-33(39)37(29,3)19-15-31(27)35)24-14-18-36(2)26(22-24)6-8-28-30-10-12-34(40)38(30,4)20-16-32(28)36/h13-14,17-18,21-22,27-32H,5-12,15-16,19-20H2,1-4H3/b24-23+/t27?,28?,29?,30?,31?,32?,35-,36-,37-,38-/m0/s1 |
| InChIKey | YYSOQFLOEODIEE-DVYVDERJSA-N |
| Mol Weight | 536.8 g/mol |
| Molecular Formula | C38H48O2 |
| Exact Mass | 536.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JXWZpvsjCBU |
|---|---|
| Name | 1,1-Bis(androsta-1,4-dien-9-one) |
| Alternate Name(s) | 3-(17-oxoandrosta-1,4-dien-3-ylidene)androsta-1,4-dien-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H48O2 |
| InChI | InChI=1S/C38H48O2/c1-35-17-13-23(21-25(35)5-7-27-29-9-11-33(39)37(29,3)19-15-31(27)35)24-14-18-36(2)26(22-24)6-8-28-30-10-12-34(40)38(30,4)20-16-32(28)36/h13-14,17-18,21-22,27-32H,5-12,15-16,19-20H2,1-4H3/b24-23+/t27?,28?,29?,30?,31?,32?,35-,36-,37-,38-/m0/s1 |
| InChIKey | YYSOQFLOEODIEE-DVYVDERJSA-N |
| Molecular Weight | 536.800 g/mol |
| SMILES | [C@@]12(C(=C\C(C=C2)=C\2C=C3CCC4C5CCC([C@]5(CCC4[C@]3(C=C2)C)C)=O)CCC2C3CCC([C@]3(CCC12)C)=O)C |
| SPLASH | splash10-059i-0322090000-af8b8769bc1d86a30698 |
| Source of Spectrum | C-117-4475-30 |
| Wiley ID | 758905 |