(2R,3R,4R)-5,5,5-trideuterio-4-[(2S,5R,8R,9S)-2-[(2R,5R)-5-ethyl-5-[(2R,3S)-5-[(3S,5R,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoic acid
Molecular Formula:
C36H62O11
InChI: InChI=1/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24+,25-,26?,27+,28?,29+,30?,31+,33-,34-,35+,36-/m0/s1/i1+1D3,2+1D3,3+1D3,4+1D3,5+1D3,6+1D3,7+1D3,8+1D3/f/h39H
InChIKey: InChIKey=GAOZTHIDHYLHMS-JSBVFUFFHL
SMILES: CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
Names:
(2R,3R,4R)-5,5,5-trideuterio-4-[(2S,5R,8R,9S)-2-[(2R,5R)-5-ethyl-5-[(2R,3S)-5-[(3S,5R,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methyl-pentanoic acid
Registries:
PubChem CID 10508941
PubChem ID 15533873
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