2-[(2S,3S,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-14-hydroxy-3-[[(2R,3R,4R,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,9,13-trimethyl-8,16-dioxo-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
Molecular Formula:
C46H77NO17
InChI: InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
InChIKey: InChIKey=WBPYTXDJUQJLPQ-XAGNRFEDBO
SMILES: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC
Names:
2-[(2S,3S,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-14-hydroxy-3-[[(2R,3R,4R,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,9,13-trimethyl-8,16-dioxo-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
Registries:
PubChem CID 11355011
PubChem ID 16446685
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