672336-50-4
10(14)-CADINENE-4,5-DIOL
Name
10(14)-CADINENE-4,5-DIOL
Formula
C13 H22 O2
MolWeight
210.315
1Identification
【Name】
10(14)-CADINENE-4,5-DIOL
【CAS】
【MDL】
MFCD17214845
【English Synonyms】
【Formula】
C13 H22 O2
【MolWeight】
210.315
【Inchi】
InChI=1S/C13H22O2/c1-8-4-5-9(2)11-10(8)6-7-13(3,15)12(11)14/h9-12,14-15H,1,4-7H2,2-3H3/t9-,10+,11+,12+,13+/m1/s1
【InChIKey】
InChIKey=PSJNXABIYVELKB-MOLYVOAJSA-N
【SMILES】
C[C@@H]1CCC(=C)[C@H]2[C@H]1[C@@H]([C@@](CC2)(C)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10(14)-CADINENE-4,5-DIOL.cml
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