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Molecular Formula: C27H42O4
Molecular weight: 430.61998
InChi: InChI=1S/C27H42O4/c1-5-14-31-25(30)11-6-17(2)21-9-10-22-20-8-7-18-15-19(28)12-13-26(18,3)23(20)16-24(29)27(21,22)4/h1,17-24,28-29H,6-16H2,2-4H3/t17-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1
InChi Key: CTJXNZXSIJZTEM-DIENXTIDSA-N
SMILES: [C@@]12([C@H]([C@H]3[C@H](C[C@@H]2O)[C@@]2([C@H](CC3)C[C@@H](CC2)O)C)CC[C@@H]1[C@@H](CCC(=O)OCC#C)C)C
Chemical Name
deoxycholic acid propargyl ester
propargyl 3α,12α-dihydroxy-5β-cholan-24-oate
propargyl 3α,12α-dihydroxy-β-cholan-24-oate
propargyl deoxycholate
propargyl ester of deoxycholic acid
External Links
PubChem