majusimine A
AlkaPlorer ID: AK162938
Synonym: '(-)-Majusimine A', 'Majusimine A'
IUPAC Name: [(1R,2S,3R,4S,5R,6R,7S,8S,9R,11R,12S,13S,14R,16S,17S,18S)-4,6,16,17,18-pentaacetyloxy-5-benzoyloxy-7-formyl-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](OC(C)=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/C45H47NO15/c1-20-28-31(60-41(53)26-15-11-9-12-16-26)29-36-45-34(30(46(36)8)38(57-23(4)50)44(29,37(20)56-22(3)49)35(45)32(28)55-21(2)48)43(7,19-47)39(58-24(5)51)33(40(45)59-25(6)52)61-42(54)27-17-13-10-14-18-27/h9-19,28-40H,1H2,2-8H3/t28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38+,39-,40+,43-,44-,45+/m0/s1
InChIKey: CTAGOEYJISDADM-MYWZGQKXSA-N
Reference
Diterpenoid Alkaloids from <i>Delphinium majus</i>
PubChem CID: 163103735
LOTUS: LTS0256807
Source
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Properties Information
Molecule Weight: 841.8630000000003
TPSA？: 204.41
MolLogP？: 3.045700000000001
Number of H-Donors: 0
Number of H-Acceptors: 16
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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