| SpectraBase Spectrum ID |
1V3BNSdzi4A |
| Name |
Koelreuterin-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H14O7 |
| InChI |
InChI=1S/C21H14O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h2-6H,7-9H2,1H3 |
| InChIKey |
HTPDVTGSLPGCBF-UHFFFAOYSA-N |
| Molecular Weight |
378.336 g/mol |
| SMILES |
c1(c2c(cc3c(c2)OCO3)cc2c1C(OC2)=O)-c1cc2OCOc2c(c1)OC |
| SPLASH |
splash10-004i-0109000000-b8fb66f12217136b1bcb |
| Source of Spectrum |
X2-57-1673-1 |
| Synonyms |
5-(7-Methoxy-1,3-benzodioxol-5-yl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one |
| Wiley ID |
1605728 |
