Majusimine B
AlkaPlorer ID: AK142274
Synonym: '(-)-Majusimine B'
IUPAC Name: [(1S,2S,3R,4S,5R,6R,7S,8S,9R,11R,12S,13S,14R,16S,17S,18S)-4,6,16,18-tetraacetyloxy-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=C1[C@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@H]4N(C)[C@H]5[C@@H](O)[C@@]3([C@@H]([C@@H]2OC(C)=O)[C@@]42[C@H](OC(C)=O)[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@@](C)(C=O)[C@@H]52)[C@H]1OC(C)=O
InChI: InChI=1S/C43H45NO14/c1-19-26-29(57-39(51)24-14-10-8-11-15-24)27-34-43-32(28(44(34)7)35(50)42(27,36(19)54-21(3)47)33(43)30(26)53-20(2)46)41(6,18-45)37(55-22(4)48)31(38(43)56-23(5)49)58-40(52)25-16-12-9-13-17-25/h8-18,26-38,50H,1H2,2-7H3/t26-,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,41-,42+,43+/m0/s1
InChIKey: LVPVDAUVYZESNO-CZKGXDDJSA-N
Reference
Diterpenoid Alkaloids from <i>Delphinium majus</i>
PubChem CID: 163104973
LOTUS: LTS0026499
Source
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Properties Information
Molecule Weight: 799.8260000000004
TPSA？: 198.34
MolLogP？: 2.4749
Number of H-Donors: 1
Number of H-Acceptors: 15
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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