Phellophyll a
AlkaPlorer ID: AK001131
Synonym: ''
IUPAC Name: methyl 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]propanoate
Structure
SMILES: C=CC1=C(C)C2=CC3=NC(=C4C(=O)OC(=O)C5=C4NC(=C5C)C=C4N=C(C=C1N2)C(C)=C4CC)[C@@H](CCC(=O)OC)[C@@H]3C
InChI: InChI=1S/C34H34N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(39)42-7)31(37-24)30-32-29(33(40)43-34(30)41)18(6)25(38-32)14-27-20(9-2)16(4)23(36-27)13-26(19)35-22/h8,12-14,17,21,35,38H,1,9-11H2,2-7H3/t17-,21-/m0/s1
InChIKey: CYJMOKFTYFAWKO-UWJYYQICSA-N
Reference
LOTUS: LTS0097747
Source
Properties Information
Molecule Weight: 578.6690000000003
TPSA？: 127.03
MolLogP？: 7.066440000000006
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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