| SpectraBase Compound ID | HA1JMzHDqWX |
|---|---|
| InChI | InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1 |
| InChIKey | RVKFQAJIXCZXQY-CBZIJGRNSA-N |
| Mol Weight | 349.45 g/mol |
| Molecular Formula | C18H23NO4S |
| Exact Mass | 349.134779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GCA0P7T3kE5 |
|---|---|
| Name | Estrone 3-O-Sulfamate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H23NO4S |
| InChI | InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1 |
| InChIKey | RVKFQAJIXCZXQY-CBZIJGRNSA-N |
| Molecular Weight | 349.445 g/mol |
| SMILES | NS(Oc1cc2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3(c2cc1)[H])C)=O)[H])[H])(=O)=O |
| SPLASH | splash10-00di-0091000000-15bda729d64ca96c9dbe |
| Source of Spectrum | F2-41-1076-2 |
| Synonyms | 17-oxoestra-1,3,5(10)-trien-3-yl sulfamate sulfamic acid [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate [(8R,9S,13S,14S)-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfamate |
| Wiley ID | 1599507 |