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Inherent Properties, Identifiers and References
ChemSpider ID: 8184882
Empirical Formula: C37H66O8
Molecular Weight: 638.9151
Nominal Mass: 638 Da
Average Mass: 638.9151 Da
Monoisotopic Mass: 638.475769 Da
Systematic Name: (5S)-3-{(2R)-9-[(2R,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-decyl-5-hydrox​ytetrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tetrahydrofuran-2-y​l]-2-hydroxynonyl}-5-methylfuran-2(5H)-one
SMILES: O=C\1O[C@H](/C=C/1C[C@H](O)CCCCCCC[C@H]2O[C@@H](CC2)[C@@H](O)CC[C​@H](O)[C@H]3O[C@H]([C@H](O)CC3)CCCCCCCCCC)C Copy
InChI: InChI=1/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)​32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-​28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,2​9+,30+,31-,32-,33+,34-,35-,36-/m0/s1 Copy
InChIKey: PIKSSLVYUFERQJ-OKPRCEDIBT
Std. InChI: InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34​)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26​-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,​29+,30+,31-,32-,33+,34-,35-,36-/m0/s1 Copy
Std. InChIKey: PIKSSLVYUFERQJ-OKPRCEDISA-N
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