NSC628603
Molecular Formula:
C52H66O22
InChI: InChI=1/C27H34O11.C25H32O11/c1-13-19-20(23(32)25(13)38-18(29)9-8-14-6-4-3-5-7-14)16(26(34)35-2)12-36-27(19)37-17-10-15(11-28)21(30)24(33)22(17)31;1-11-16-17(20(29)22(11)36-23(31)12-6-4-3-5-7-12)14(24(32)33-2)10-34-25(16)35-15-8-13(9-26)18(27)21(30)19(15)28/h3-9,12-13,15,17,19-25,27-28,30-33H,10-11H2,1-2H3;3-7,10-11,13,15-22,25-30H,8-9H2,1-2H3/b9-8+;/t13-,15u,17?,19-,20-,21?,22?,23+,24?,25-,27+;11-,13u,15?,16-,17-,18?,19?,20+,21?,22-,25+/m11/s1
InChIKey: InChIKey=XYPPFFUVIARNLP-GBEYBCINBV
SMILES: CC1C2C(C(C1OC(=O)C=CC3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC.CC1C2C(C(C1OC(=O)C3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC
Names:
methyl (1R,2R,6R,7S,8R,9R)-8-benzoyloxy-7-hydroxy-9-methyl-2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylate; methyl (1R,2R,6R,7S,8R,9R)-7-hydroxy-9-methyl-8-[(E)-3-phenylprop-2-enoyl]oxy-2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-3-oxabicyclo[4.3.0]non-4-ene-5-carboxylate
NSC628603
Registries:
PubChem CID 5387860
PubChem ID 8142131
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