HIT ID: HIT213885853
Cas No: 111187-15-6
分子式: C45H78O10
分子量: 779.109
常用名: (2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
常用名: (2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
IUPAC: (2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
InChI key: BROOMPUVDPTGEG-KWKASQHVSA-N
