HYDRANGENOSIDE C
Molecular Formula:
C29H38O12
InChI: InChI=1/C29H38O12/c1-3-20-21(12-19-11-17(32)10-18(39-19)9-6-15-4-7-16(31)8-5-15)22(27(36)37-2)14-38-28(20)41-29-26(35)25(34)24(33)23(13-30)40-29/h3-5,7-8,14,18-21,23-26,28-31,33-35H,1,6,9-13H2,2H3/t18-,19+,20+,21-,23u,24?,25?,26?,28-,29?/m0/s1
InChIKey: InChIKey=GGNFGJZLCXTJLH-ZVRHYYRIBD
SMILES: COC(=O)C1=COC(C(C1CC2CC(=O)CC(O2)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O
Names:
HYDRANGENOSIDE C
methyl (4S,5S,6S)-5-ethenyl-4-[[(2S,6S)-6-[2-(4-hydroxyphenyl)ethyl]-4-oxo-oxan-2-yl]methyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate
NSC360034
74565-25-6
Registries:
PubChem CID 5458842
PubChem ID 8141439
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