| SpectraBase Spectrum ID |
GYc6pX4KqnI |
| Name |
Estrone |
| CAS Registry Number |
53-16-7 |
| Classification |
Pharmaceutical drug, antineoplastic, osteoporosis prophylactic, anti-menopausal |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
270.161979946 u |
| Formula |
C18H22O2 |
| InChI |
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
| InChIKey |
DNXHEGUUPJUMQT-CBZIJGRNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
270.372 g/mol |
| Nominal Mass |
270 u |
| Quality |
892 |
| Retention Index |
2193 |
| SMILES |
OC=1C=C2C([C@@]3([C@]([C@]4([C@@](C(CC4)=O)(CC3)C)[H])(CC2)[H])[H])=CC1 |
| SPLASH |
splash10-05fs-0920000000-c45486633bfbfe7367c4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Cristallovar
Folliculin
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]- \rphenanthren-17-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007816 |
