94079-80-8
CICAPROST
Name
CICAPROST
Formula
C22 H30 O5
MolWeight
374.474
1Identification
【Name】
CICAPROST
【CAS】
【MDL】
MFCD00865953
【English Synonyms】
【Formula】
C22 H30 O5
【MolWeight】
374.474
【Inchi】
InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17-,18+,19-,20+,21+/m0/s1
【InChIKey】
InChIKey=ARUGKOZUKWAXDS-SEWALLKFSA-N
【SMILES】
CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CICAPROST.cml
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