Emicymarin
Molecular Formula:
C30H46O9
InChI: InChI=1/C30H46O9/c1-16-23(32)25(36-4)24(33)26(38-16)39-18-5-9-27(2)20-6-10-28(3)19(17-13-22(31)37-15-17)8-12-30(28,35)21(20)7-11-29(27,34)14-18/h13,16,18-21,23-26,32-35H,5-12,14-15H2,1-4H3/t16u,18-,19-,20u,21u,23+,24?,25?,26+,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=MABTYQWWFMMYTE-ZXDRBXEPBL
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)O)OC)O
Names:
BRN 0101138
Emicymarin
Periplogenin-D-digitalosid [German]
4-18-00-02440 (Beilstein Handbook Reference)
4-[(3R,5S,10R,13R,14S,17S)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-5,14-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-D-galactopyranosyl)oxy)-5,14-dihydroxy-
5-beta-CARD-20(22)-ENOLIDE, 3-beta-((6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY)-
514-42-1
Registries:
PubChem CID 11967807
PubChem ID 153862
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