HIT ID: HIT214315976
Cas No: 57079-92-2
分子式: C15H24O2
分子量: 236.355
常用名: Isosativenediol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2S,3S,7R,8S,9S)-7-methyl-10-methylidene-4-(propan-2-yl)tricyclo[5.2.1.0^{3,8}]decane-2,9-diol
IUPAC: (1S,2S,3S,7R,8S,9S)-7-methyl-10-methylidene-4-(propan-2-yl)tricyclo[5.2.1.0^{3,8}]decane-2,9-diol
SMILES: [H][C@@]12[C@@H](O)[C@@]3([H])C(CC[C@@](C)(C1=C)[C@@]3([H])[C@@H]2O)C(C)C |@@:17,TLB:6:4:15:9.11,8:9:4.2:15,16:15:4.2:9.11,THB:10:9:4.2:15,3:2:15:9.11|
SMILES: [H][C@@]12[C@@H](O)[C@@]3([H])C(CC[C@@](C)(C1=C)[C@@]3([H])[C@@H]2O)C(C)C |@@:17,TLB:6:4:15:9.11,8:9:4.2:15,16:15:4.2:9.11,THB:10:9:4.2:15,3:2:15:9.11|
InChI key: JKWAVUHQXGRTII-ORSNTPMJSA-N
