Trifoliolasine E
AlkaPlorer ID: AK116556
Synonym: '(-)-Trifoliolasine E'
IUPAC Name: [(1R,2S,3S,4S,5S,7R,8S,9R,11R,12S,13R,14R,16S,17R,18S)-4,18-diacetyloxy-13-benzoyloxy-7-formyl-16,17-dihydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl] benzoate
Structure
SMILES: C=C1[C@@H]2[C@@H](OC(C)=O)[C@@H]3[C@@]4([C@H]([C@H]2OC(=O)C2=CC=CC=C2)[C@H]2N(C)[C@@H]([C@@H]4O)[C@H]4[C@]32[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)C[C@@]4(C)C=O)[C@H]1O
InChI: InChI=1S/C39H41NO11/c1-18-24-27(51-36(47)22-14-10-7-11-15-22)25-31-39-29(26(40(31)5)33(45)38(25,32(18)44)30(39)28(24)48-19(2)42)37(4,17-41)16-23(34(39)49-20(3)43)50-35(46)21-12-8-6-9-13-21/h6-15,17,23-34,44-45H,1,16H2,2-5H3/t23-,24-,25+,26+,27-,28+,29+,30+,31+,32-,33-,34+,37-,38-,39-/m0/s1
InChIKey: SKPOUZKDPRGKHR-JXJUCQPOSA-N
Reference
C<sub>20</sub>-Diterpenoid Alkaloids from <i>Delphinium </i><i>t</i><i>rifoliolatum</i>
PubChem CID: 163105977
LOTUS: LTS0187615
Source
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Properties Information
Molecule Weight: 699.7530000000002
TPSA？: 165.97
MolLogP？: 2.3625000000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 10
Activities Information
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