| SpectraBase Spectrum ID |
BFgPjL9OmNZ |
| Name |
Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, acetate, (17BETA)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C19H26O.C2H4O2/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19;1-2(3)4/h6,8,12,16-18H,3-5,7,9-11H2,1-2H3;1H3,(H,3,4) |
| InChIKey |
VOWAZZOBJHTJFU-UHFFFAOYSA-N |
| Molecular Weight |
330.468 g/mol |
| Nominal Mass |
330 u |
| SMILES |
OC(=O)C.c12CCC3C(c2ccc(c1)OC)CCC1(C3CCC1)C |
