| SpectraBase Spectrum ID |
LaewQqiJ3P5 |
| Name |
2-(Propylthio)-3,4-dihydroxyestrogen-o-Quinone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3S |
| InChI |
InChI=1S/C21H28O3S/c1-3-10-25-17-11-15-12-8-9-21(2)16(6-7-18(21)22)13(12)4-5-14(15)19(23)20(17)24/h11-13,16,23-24H,3-10H2,1-2H3 |
| InChIKey |
MNNMKUQGKQXBBG-UHFFFAOYSA-N |
| Molecular Weight |
360.512 g/mol |
| SMILES |
Oc1c(cc2c(c1O)CCC1C2CCC2(C(CCC12)=O)C)SCCC |
| SPLASH |
splash10-03di-0009000000-ce714bccc188c9567c54 |
| Source of Spectrum |
CRT-9-435-5 |
| Wiley ID |
1709596 |
