| SpectraBase Spectrum ID |
B0j6VSNp6ie |
| Name |
3'-Chloro-2'-hydroxy-anguticinin |
| Comments |
Note: The molecular formula of the structure shown is C21H31ClO7 - which differs from the formula reported for the mass spectrum (C22H33ClO7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H33ClO7 |
| InChI |
InChI=1S/C21H31ClO7/c1-11(22)21(6,27)18(25)29-16-7-8-20(5)10-15(24)13(19(3,4)26)9-14(20)17(16)28-12(2)23/h9,11,14,16-17,26-27H,7-8,10H2,1-6H3 |
| InChIKey |
KKBAXCMJIJNUKZ-UHFFFAOYSA-N |
| Molecular Weight |
430.925 g/mol |
| SMILES |
OC(C(OC1C(C2C=C(C(O)(C)C)C(CC2(CC1)C)=O)OC(=O)C)=O)(C(Cl)C)C |
| SPLASH |
splash10-014i-4598000000-75d6db120c55b5d875c1 |
| Source of Spectrum |
PS-1995-0-26 |
| Wiley ID |
880050 |
