| SpectraBase Compound ID | 7bL9eLaPpPE |
|---|---|
| InChI | InChI=1S/C35H56OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-29-22-24-34(2)28(27-29)18-19-30-31-20-21-33(36)35(31,3)25-23-32(30)34/h18,29-32H,4-15,19-27H2,1-3H3/t29-,30-,31-,32-,34-,35-/m0/s1 |
| InChIKey | UMMZNCMRKKRAFQ-SHDAAXGTSA-N |
| Mol Weight | 524.9 g/mol |
| Molecular Formula | C35H56OS |
| Exact Mass | 524.405188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iRHMFzOgdq |
|---|---|
| Name | 3-BETA-(HEXADEC-2-YNYL-THIO)-ANDROST-5-EN-17-ONE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56OS |
| InChI | InChI=1S/C35H56OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-29-22-24-34(2)28(27-29)18-19-30-31-20-21-33(36)35(31,3)25-23-32(30)34/h18,29-32H,4-15,19-27H2,1-3H3/t29-,30-,31-,32-,34-,35-/m0/s1 |
| InChIKey | UMMZNCMRKKRAFQ-SHDAAXGTSA-N |
| Literature Reference Author | J.R.WILLIAMS,J.C.BOEHM |
| Literature Reference Citation | STEROIDS,60,699(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00094-7 |
| Molecular Weight | 524.889 g/mol |
| Source File Reference | UWLU73868 |