| SpectraBase Spectrum ID |
KYBOJbzltN5 |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-17.BETA.-TRIOL-6-ONE(3,16.ALPHA.,17.BETA.-TRI-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
428.183503235 u |
| Formula |
C24H28O7 |
| InChI |
InChI=1S/C24H28O7/c1-12(25)29-15-5-6-16-17-7-8-24(4)20(18(17)10-21(28)19(16)9-15)11-22(30-13(2)26)23(24)31-14(3)27/h5-6,9,17-18,20,22-23H,7-8,10-11H2,1-4H3/t17-,18-,20+,22-,23+,24+/m1/s1 |
| InChIKey |
YKXHUDXDHCUGIF-STZDCXSUSA-N |
| Molecular Weight |
428.481 g/mol |
| Nominal Mass |
428 u |
| Number of Peaks |
56 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@]([C@@](C[C@]4([C@@]3(CC(c2c1)=O)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-000i-2495000000-3623cb947d2204b53c3d |
| Source File Reference |
LMCM-86568-102W |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16,17-BIS(ACETYLOXY)-6-OXOESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,16R,17R)-13-methyl-6-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triyl triacetate |
| Wiley ID |
4_1577 |
