methyl (3aS,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1H,3aH,6H,8H,9H,10H-cyclodeca[c]pyrazole-11a-carboxylate
AlkaPlorer ID: AK131715
Synonym: None
IUPAC Name: methyl (3aS,4Z,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1,3a,6,8,9,10-hexahydrocyclodeca[c]pyrazole-11a-carboxylate
Structure
SMILES: C=C1CC[C@@H](C)[C@@](C)(CCC2=COC=C2)C/C=C\[C@@H]2C=NN[C@]12C(=O)OC
InChI: InChI=1S/C22H30N2O3/c1-16-7-8-17(2)22(20(25)26-4)19(14-23-24-22)6-5-11-21(16,3)12-9-18-10-13-27-15-18/h5-6,10,13-16,19,24H,2,7-9,11-12H2,1,3-4H3/b6-5-/t16-,19-,21-,22-/m1/s1
InChIKey: KYFFDWMRQAXSTR-IPICDUNHSA-N
Reference
Diterpenes of Conyza stricta, identification of conyzic acid, secconidoresedasaure and strictic acid
PubChem CID: 162932916
LOTUS: LTS0087669
SuperNatural Ⅲ: SN0198618-02
NPASS: NPC69855
Source
Properties Information
Molecule Weight: 370.4930000000001
TPSA？: 63.83
MolLogP？: 4.267900000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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