MOLI001140
Molecular Formula:
C38H68O13
InChI: InChI=1/C38H68O13/c1-14-26-38(12,45)31(41)21(6)28(39)19(4)16-36(10,44)33(51-35-29(40)25(18(2)3)15-20(5)47-35)22(7)30(23(8)34(43)49-26)50-27-17-37(11,46-13)32(42)24(9)48-27/h18-27,29-33,35,40-42,44-45H,14-17H2,1-13H3/t19-,20u,21-,22u,23u,24u,25u,26u,27+,29-,30?,31-,32+,33-,35?,36+,37-,38-/m1/s1/i2-1/t18?,19-,20u,21-,22u,23u,24u,25u,26u,27+,29-,30?,31-,32+,33-,35?,36+,37-,38-
InChIKey: InChIKey=KZKKKXYCPNMZFW-NBOVAQLPFD
SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)C(C)C)O)(C)O)C)C)O)(C)O
Names:
MOLI001140
(6R,7S,9R,11R,12R,13S)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-6-[(3R)-3-hydroxy-6-methyl-4-propan-2-yl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
Registries:
PubChem CID 450613
PubChem ID 1082
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