| SpectraBase Spectrum ID |
Gal6vzn4pp2 |
| Name |
Takakin 8-O-.beta.-D-glucuronide 6"-methyl ester |
| Alternate Name(s) |
Takakin 8-O-.beta.-D-glucuronide 6''-methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22O12 |
| InChI |
InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)14-8-12(25)15-11(24)7-13(26)19(20(15)33-14)34-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-24,26-29H,1-2H3/t16-,17-,18+,21-,23+/m0/s1 |
| InChIKey |
PMIUOPDTARUOHW-USFRMQJTSA-N |
| Molecular Weight |
490.417 g/mol |
| SMILES |
Oc1c2c(c(O[C@]3([C@@]([C@]([C@@]([C@](O3)(C(=O)OC)[H])(O)[H])(O)[H])(O)[H])[H])c(c1)O)OC(=CC2=O)c1ccc(OC)cc1 |
| SPLASH |
splash10-0uxr-0709000000-064a151226f14aabd487 |
| Source of Spectrum |
H1-38-1403-2 |
| Wiley ID |
756381 |
