Pentaacetyl geniposide
Molecular Formula:
C27H34O15
InChI: InChI=1/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1
InChIKey: InChIKey=LKXMXUPYWQQHNY-JPGAYEHLBW
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC=C3COC(=O)C)C(=CO2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
Names:
C11639
Geniposide pentaacetate
methyl (1R,2S,6S)-9-(acetyloxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-diene-5-carboxylate
Pentaacetyl geniposide
49776-64-9
Registries:
PubChem CID 162083
PubChem ID 13804
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