![(E,E)-17.beta.-[(3-Phenylguanidino)imino]methyl]-5.beta.-androstane-3.beta.,14.beta.-diol](/api/spectrum/J29HVhy0xaz/structure.png?h=300&w=458 "(E,E)-17.beta.-[(3-Phenylguanidino)imino]methyl]-5.beta.-androstane-3.beta.,14.beta.-diol")
| SpectraBase Compound ID | L59bLJqtPfU |
|---|---|
| InChI | InChI=1S/C27H40N4O2/c1-25-13-11-21(32)16-18(25)8-9-23-22(25)12-14-26(2)19(10-15-27(23,26)33)17-29-31-24(28)30-20-6-4-3-5-7-20/h3-7,17-19,21-23,32-33H,8-16H2,1-2H3,(H3,28,30,31)/b29-17+/t18-,19-,21+,22?,23?,25+,26-,27+/m1/s1 |
| InChIKey | DHNUMJLTUCMLCP-PHUROYEHSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C27H40N4O2 |
| Exact Mass | 452.315127 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J29HVhy0xaz |
|---|---|
| Name | (E,E)-17.beta.-[(3-Phenylguanidino)imino]methyl]-5.beta.-androstane-3.beta.,14.beta.-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40N4O2 |
| InChI | InChI=1S/C27H40N4O2/c1-25-13-11-21(32)16-18(25)8-9-23-22(25)12-14-26(2)19(10-15-27(23,26)33)17-29-31-24(28)30-20-6-4-3-5-7-20/h3-7,17-19,21-23,32-33H,8-16H2,1-2H3,(H3,28,30,31)/b29-17+/t18-,19-,21+,22?,23?,25+,26-,27+/m1/s1 |
| InChIKey | DHNUMJLTUCMLCP-PHUROYEHSA-N |
| Molecular Weight | 452.643 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3C([C@@]4([C@@]([C@@](\C=N\N=C\(Nc5ccccc5)N)(CC4)[H])(CC3)C)O)CC[C@@]2(C1)[H])C)[H] |
| SPLASH | splash10-01ox-9520000000-76be126d8b8bca972d0d |
| Source of Spectrum | E1-39-3392-9 |
| Wiley ID | 1598905 |