| SpectraBase Compound ID | F08gabPXVK9 |
|---|---|
| InChI | InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,25,30-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,25-,26-,27-/m1/s1 |
| InChIKey | GJRHBVPNSJKQGM-UXOZVPLFSA-N |
| Mol Weight | 429.6 g/mol |
| Molecular Formula | C27H43NO3 |
| Exact Mass | 429.324294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ATY01yKlhhA |
|---|---|
| Name | (2R,6E,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-hydroxy-6-hydroxyimino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43NO3 |
| InChI | InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,25,30-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,25-,26-,27-/m1/s1 |
| InChIKey | GJRHBVPNSJKQGM-UXOZVPLFSA-N |
| Molecular Weight | 429.645 g/mol |
| SMILES | O[C@@]1(C[C@]2(C(\C(=N\O)C[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])=CC1=O)C)[H] |
| SPLASH | splash10-001i-0009100000-faf36eb6228956bd1dfa |
| Source of Spectrum | F2-44-2617-21 |
| Synonyms | (2R,6E,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroximino-2-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (2R,6E,8S,9S,10R,13R,14S,17R)-2-hydroxy-6-hydroxyimino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (2R,6E,8S,9S,10R,13R,14S,17R)-6-hydroxyimino-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-oxidanyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| Wiley ID | 1639289 |