Catalog Number
ACM157148066
Product Name
Harzianic acid
Category
Heterocyclic Organic Compound
Molecular Formula
C19H27NO6
InChI
InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14+
InChI Key
FQSWTHMMNDRFAI-RFJZBCCMSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isomeric SMILES
CCC/C=C/C=C/C(=C\1/C(=O)C(N(C1=O)C)CC(C(C)C)(C(=O)O)O)/O
Monoisotopic Mass
365.18383758
Topological Polar Surface Area
115 Ų
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