| SpectraBase Spectrum ID |
51fSB5KyCLE |
| Name |
8-Ethyl-7,8,9,10-tetrahydro-6, trans-7,8,11-trihydroxy-5,12-naphthacenedione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.110338294 u |
| Formula |
C20H18O6 |
| InChI |
InChI=1S/C20H18O6/c1-2-20(26)8-7-11-12(19(20)25)18(24)14-13(17(11)23)15(21)9-5-3-4-6-10(9)16(14)22/h3-6,19,23-26H,2,7-8H2,1H3/t19-,20-/m0/s1 |
| InChIKey |
SZNYGBNBFHBMAA-PMACEKPBSA-N |
| SMILES |
OC=1C=2C(C=3C=CC=CC3C(C2C(=C2CC[C@]([C@](C12)(O)[H])(CC)O)O)=O)=O |
