Scillarenin-beta-D-glucoside
Molecular Formula:
C30H42O8
InChI: InChI=1/C30H42O8/c1-29-11-9-18(37-28-27(35)26(34)25(33)23(14-31)38-28)13-17(29)4-5-19-21-7-6-20(16-3-8-24(32)36-15-16)30(21,2)12-10-22(19)29/h3,8,13,15,18-23,25-28,31,33-35H,4-7,9-12,14H2,1-2H3/t18-,19-,20+,21+,22-,23u,25?,26?,27?,28?,29-,30+/m0/s1
InChIKey: InChIKey=PXOPSICDLOGGMK-QXHLSAMPBT
SMILES: CC12CCC3C(C1CCC2C4=COC(=O)C=C4)CCC5=CC(CCC35C)OC6C(C(C(C(O6)CO)O)O)O
Names:
NSC374119
Scillarenin-beta-D-glucoside
5-[(3S,8S,9S,10R,13S,14R,17S)-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Registries:
PubChem CID 5458895
PubChem ID 8141560
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