56188-04-6
3ALPHA,5ALPHA-DIHYDROXY-2BETA-(3S-HYDROXY-TRANS-1-OCTENYL)-1ALPHA-CYCLOPENTANE-ACETIC ACID
Name3ALPHA,5ALPHA-DIHYDROXY-2BETA-(3S-HYDROXY-TRANS-1-OCTENYL)-1ALPHA-CYCLOPENTANE-ACETIC ACID
1Identification
【Name】
3ALPHA,5ALPHA-DIHYDROXY-2BETA-(3S-HYDROXY-TRANS-1-OCTENYL)-1ALPHA-CYCLOPENTANE-ACETIC ACID
【CAS】
【MDL】
MFCD20488093
【English Synonyms】
【Formula】
C15 H26 O5
【MolWeight】
286.365
【Inchi】
InChI=1S/C15H26O5/c1-2-3-4-5-10(16)6-7-11-12(8-15(19)20)14(18)9-13(11)17/h6-7,10-14,16-18H,2-5,8-9H2,1H3,(H,19,20)/b7-6+/t10-,11+,12+,13+,14-/m0/s1
【InChIKey】
InChIKey=UCRYUXJCACOTHB-FNLFQXNBSA-N
【SMILES】
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)O)O)O)O
【MOL File】
3ALPHA,5ALPHA-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3ALPHA,5ALPHA-DIHYDROXY-2BETA-(3S-HYDROXY-TRANS-1-OCTENYL)-1ALPHA-CYCLOPENTANE-ACETIC ACID.cml