| SpectraBase Spectrum ID |
BF2y066oH2p |
| Name |
ESTRA-1,3,5(10)-TRIENE-3-OL-17-ONE(3-ACETATE) |
| CAS Registry Number |
901-93-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.172544630 u |
| Formula |
C20H24O3 |
| InChI |
InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m1/s1 |
| InChIKey |
KDPQTPZDVJHMET-XSYGEPLQSA-N |
| Molecular Weight |
312.409 g/mol |
| Nominal Mass |
312 u |
| Number of Peaks |
126 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=O)C)[H])OC(C)=O |
| SPLASH |
splash10-00di-2791000000-5a61d1c6b437b9375e51 |
| Source File Reference |
LMCM-81400-548N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_2092 |
