HIT ID: HIT217566082
Cas No: 156101-08-5
分子式: C25H36O6
分子量: 432.557
常用名: (3aR,5aR,6S)-1-isopropyl-3a,5a-dimethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,4H,5H,6H,7H-cyclohepta[e]indene-8-carbaldehyde
常用名: (3aR,5aR,6S)-1-isopropyl-3a,5a-dimethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,4H,5H,6H,7H-cyclohepta[e]indene-8-carbaldehyde
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3aR,5aR,6S)-3a,5a-dimethyl-1-(propan-2-yl)-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H-cyclohepta[e]indene-8-carbaldehyde
IUPAC: (3aR,5aR,6S)-3a,5a-dimethyl-1-(propan-2-yl)-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H-cyclohepta[e]indene-8-carbaldehyde
SMILES: CC(C)C1=C2C3=CC=C(C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1)C=O
SMILES: CC(C)C1=C2C3=CC=C(C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1)C=O
InChI key: LPPCHLAEVDUIIW-NLLUTMDRSA-N
