Delgrandine
AlkaPlorer ID: AK058986
Synonym: '(-)-Delgrandine'
IUPAC Name: [(1R,2R,3R,4S,5R,6R,7S,8S,9R,11R,12S,13S,14R,17S,18R)-4,6,18-triacetyloxy-5-benzoyloxy-7-formyl-17-hydroxy-7,10-dimethyl-15-methylidene-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-13-yl] benzoate
Structure
SMILES: C=C1C[C@]23[C@@H]4[C@H](OC(=O)C5=CC=CC=C5)[C@H]1[C@H](OC(C)=O)[C@H]2[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)C5=CC=CC=C5)[C@H](OC(C)=O)[C@@](C)(C=O)[C@H]1[C@H]([C@H]3O)N(C)[C@H]42
InChI: InChI=1S/C41H43NO12/c1-19-17-40-26-28(53-37(48)23-13-9-7-10-14-23)25(19)29(50-20(2)44)32(40)41-31(27(34(40)47)42(6)33(26)41)39(5,18-43)35(51-21(3)45)30(36(41)52-22(4)46)54-38(49)24-15-11-8-12-16-24/h7-16,18,25-36,47H,1,17H2,2-6H3/t25-,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36+,39-,40-,41+/m0/s1
InChIKey: XDDAEJYWWRYPIF-KMZKAZQBSA-N
Reference
Diterpenoid Alkaloids from <i>Delphinium majus</i>
PubChem CID: 163086919
LOTUS: LTS0265916
Source
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Properties Information
Molecule Weight: 741.7900000000003
TPSA？: 172.04000000000002
MolLogP？: 2.933300000000001
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 10
Activities Information
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