SpectraBase Spectrum ID |
2AFah9BI3vw |
Name |
2-Methoxyestradiol, 3,17.beta.-diacetate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
386.209324061 u |
Formula |
C23H30O5 |
InChI |
InChI=1S/C23H30O5/c1-13(24)27-21-11-15-5-6-17-16(18(15)12-20(21)26-4)9-10-23(3)19(17)7-8-22(23)28-14(2)25/h11-12,16-17,19,22H,5-10H2,1-4H3/t16-,17+,19-,22-,23-/m0/s1 |
InChIKey |
JAEBGPSCSOGTSV-JIAAILLZSA-N |
Molecular Weight |
386.488 g/mol |
SMILES |
C1(=C(C=C2C(=C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(C)=O)[H])[H])[H])OC)OC(C)=O |