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132915-47-0
9-HYDROXY-13E-LABDEN-15-OIC ACID
Name
9-HYDROXY-13E-LABDEN-15-OIC ACID
Formula
C20 H34 O3
MolWeight
322.486
1Identification
【Name】
9-HYDROXY-13E-LABDEN-15-OIC ACID
【CAS】
【MDL】
MFCD17214873
【English Synonyms】
【Formula】
C20 H34 O3
【MolWeight】
322.486
【Inchi】
InChI=1S/C20H34O3/c1-14(13-17(21)22)9-12-20(23)15(2)7-8-16-18(3,4)10-6-11-19(16,20)5/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,16+,19+,20-/m1/s1
【InChIKey】
InChIKey=GVGJRMWFFTWASU-LKZYJNOJSA-N
【SMILES】
C[C@@H]1CC[C@H]2C(CCC[C@@]2([C@]1(CC/C(=C/C(=O)O)/C)O)C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-HYDROXY-13E-LABDEN-15-OIC ACID.cml
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Catalog No:132915-47-0 up to kgs
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