| SpectraBase Compound ID | IYXro4cjzxz |
|---|---|
| InChI | InChI=1S/C26H41NO3/c1-16(2)22(24(29)30-5)27-23(28)21-12-11-19-18-10-9-17-8-6-7-14-25(17,3)20(18)13-15-26(19,21)4/h12,16-20,22H,6-11,13-15H2,1-5H3,(H,27,28)/t17?,18?,19?,20?,22?,25-,26-/m0/s1 |
| InChIKey | JQAGGVYAWOIJIQ-IJIZMUNTSA-N |
| Mol Weight | 415.6 g/mol |
| Molecular Formula | C26H41NO3 |
| Exact Mass | 415.308644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FIENBXcFZ5J |
|---|---|
| Name | Methyl N-(17-androst-16-enoyl)valinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H41NO3 |
| InChI | InChI=1S/C26H41NO3/c1-16(2)22(24(29)30-5)27-23(28)21-12-11-19-18-10-9-17-8-6-7-14-25(17,3)20(18)13-15-26(19,21)4/h12,16-20,22H,6-11,13-15H2,1-5H3,(H,27,28)/t17?,18?,19?,20?,22?,25-,26-/m0/s1 |
| InChIKey | JQAGGVYAWOIJIQ-IJIZMUNTSA-N |
| Molecular Weight | 415.618 g/mol |
| SMILES | N(C(C=1[C@@]2(C(C3CCC4[C@](C3CC2)(C)CCCC4)CC1)C)=O)C(C(=O)OC)C(C)C |
| SPLASH | splash10-0a4i-9560100000-607d63d1d0706cb45c69 |
| Source of Spectrum | KC-61-801-3 |
| Wiley ID | 1627279 |