| SpectraBase Spectrum ID |
4KEFRrcKaGz |
| Name |
1-METHYL-ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE |
| CAS Registry Number |
4011-48-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
284.177630011 u |
| Formula |
C19H24O2 |
| InChI |
InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3/t14-,15+,16+,19+/m1/s1 |
| InChIKey |
AIBFRTWVQFOKIS-DRMAHVMPSA-N |
| Molecular Weight |
284.399 g/mol |
| Nominal Mass |
284 u |
| Number of Peaks |
81 |
| SMILES |
Oc1cc(c2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=O)C)[H])C |
| SPLASH |
splash10-001j-1970000000-f9ac277b97e7440aa43f |
| Source File Reference |
LMCM-96402-226B |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-HYDROXY-1-METHYLESTRA-1,3,5(10)-TRIEN-17-ONE
(8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Wiley ID |
4_1458 |
