Himeic acid A; N-Deacyl
AlkaPlorer ID: AK300450
Synonym: 11-[5-(Aminocarbonyl)-4-oxo-4H-pyran-2-yl]-10-undecenoic acid, Himeic acid B
IUPAC Name: (E)-11-(5-carbamoyl-4-oxopyran-2-yl)undec-10-enoic acid
Structure
SMILES: N=C(O)C1=COC(/C=C/CCCCCCCCC(=O)O)=CC1=O
InChI: InChI=1S/C17H23NO5/c18-17(22)14-12-23-13(11-15(14)19)9-7-5-3-1-2-4-6-8-10-16(20)21/h7,9,11-12H,1-6,8,10H2,(H2,18,22)(H,20,21)/b9-7+
InChIKey: CFCNZKAZHHLTLD-VQHVLOKHSA-N
Reference
PubChem CID: 21579676
CAS: 838847-69-1
LOTUS: LTS0094834
SuperNatural Ⅲ: SN0044051-01
NPASS: NPC178085
{NPAtlas: NPA003696
Source
Properties Information
Molecule Weight: 321.37299999999993
TPSA？: 111.59
MolLogP？: 3.7417700000000016
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
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