HIT ID: HIT212664444
Cas No: 11031-45-1
分子式: C30H48O2
分子量: 440.712
常用名: Santalol
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 3.2385383
IUPAC: (2E)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-ol; (2E)-5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-ol
IUPAC: (2E)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-ol; (2E)-5-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}-2-methylpent-2-en-1-ol
SMILES: C\C(CO)=C/CCC1(C)C2CCC(C2)C1=C.C\C(CO)=C/CCC1(C)C2CC3C(C2)C13C |TLB:24:23:26.27:28.29,THB:22:23:26.27:28.29|
SMILES: C\C(CO)=C/CCC1(C)C2CCC(C2)C1=C.C\C(CO)=C/CCC1(C)C2CC3C(C2)C13C |TLB:24:23:26.27:28.29,THB:22:23:26.27:28.29|
InChI key: MDCTURIGCBTRQI-HBDROCBJSA-N
