52992-82-2
ACETYLISOCUPRESSIC ACID
Name
ACETYLISOCUPRESSIC ACID
Formula
C22 H34 O4
MolWeight
362.507
1Identification
【Name】
ACETYLISOCUPRESSIC ACID
【CAS】
【MDL】
MFCD20260556
【English Synonyms】
【Formula】
C22 H34 O4
【MolWeight】
362.507
【Inchi】
InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11+/t18-,19+,21+,22-/m0/s1
【InChIKey】
InChIKey=HSANNLXBHKRHSH-LMUCYUMOSA-N
【SMILES】
C/C(=C\COC(=O)C)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETYLISOCUPRESSIC ACID.cml
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