| SpectraBase Spectrum ID |
BfkkFUD4Ixt |
| Name |
Spiro-2'-(1'-oxacyclopropane)-17(S)-[3,3-(ethylenedioxy)-5(10),9(11)-estradiene] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.203844759 u |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-19-7-4-16-15-5-9-21(22-10-11-23-21)12-14(15)2-3-17(16)18(19)6-8-20(19)13-24-20/h4,17-18H,2-3,5-13H2,1H3/t17?,18?,19-,20+/m0/s1 |
| InChIKey |
NYGQBHSRLTVGTH-GHBBCFCZSA-N |
| Molecular Weight |
328.452 g/mol |
| SMILES |
C=12C3=C(CC4(CC3)OCCO4)CCC2C2CC[C@@]3([C@]2(CC1)C)OC3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891378 |
![Spiro-2'-(1'-oxacyclopropane)-17(S)-[3,3-(ethylenedioxy)-5(10),9(11)-estradiene]](/api/spectrum/BfkkFUD4Ixt/structure.png?h=300&w=458 "Spiro-2'-(1'-oxacyclopropane)-17(S)-[3,3-(ethylenedioxy)-5(10),9(11)-estradiene]")
