Demethyllactenocin
Molecular Formula:
C37H61NO14
InChI: InChI=1/C37H61NO14/c1-9-27-24(17-48-36-34(47)33(46)31(44)22(6)49-36)14-18(2)10-11-25(40)19(3)15-23(12-13-39)35(20(4)26(41)16-28(42)51-27)52-37-32(45)29(38(7)8)30(43)21(5)50-37/h10-11,13-14,19-24,26-27,29-37,41,43-47H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,22-,23+,24-,26-,27+,29+,30-,31-,32-,33-,34-,35-,36-,37+/m1/s1
InChIKey: InChIKey=QZCOVMJUGCBXHV-ZSLVOGAPBV
SMILES: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)C)COC3C(C(C(C(O3)C)O)O)O
Names:
C12003
Demethyllactenocin
2-[(2S,3S,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-3-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
Registries:
PubChem CID 11953993
PubChem ID 14164
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