| SpectraBase Spectrum ID |
2l3m3K9k2u8 |
| Name |
Mestranol |
| CAS Registry Number |
72-33-3 |
| Classification |
Pharmaceutical drug, estrogen |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
IMSSROKUHAOUJS-MJCUULBUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.437 g/mol |
| Nominal Mass |
310 u |
| Quality |
976 |
| Retention Index |
2612 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@@](C4=C(CC3)C=C(C=C4)OC)(CC2)[H])[H])(CC1)[H])C)C#C |
| SPLASH |
splash10-004i-3961000000-4d153e4426f3529b9499 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(8S,9S,13S,14S,17S)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-\r6H-cyclopenta[a]phenanthren-17-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001937 |
