3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetraazahexacyclo[19.2.1.1⁶,⁹.1¹¹,¹⁴.1¹⁶,¹⁹.0²,⁷]heptacosa-1(24),2(7),6(27),9,11(26),12,14,16,18,20-decaen-23-yl]propanoic acid
AlkaPlorer ID: AK438210
Synonym: None
IUPAC Name: 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid
Structure
SMILES: C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(N3)C(=C3NC(=C2)[C@@H](C)[C@@H]3CCC(=O)O)C(=O)OC4=O)C(CC)=C1C
InChI: InChI=1S/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,36-37H,1,8-10H2,2-6H3,(H,38,39)/t16-,20-/m0/s1
InChIKey: KUFHJWJISCAHNP-JXFKEZNVSA-N
Reference
New Chlorophyll-A-Related Compounds Isolated as Antioxidants from Marine Bivalves
PubChem CID: 161493
LOTUS: LTS0191132
Source
Properties Information
Molecule Weight: 564.6420000000002
TPSA？: 138.03000000000003
MolLogP？: 6.865720000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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