None
AlkaPlorer ID: AK360763
Synonym: None
IUPAC Name: [(1R,2S,3S,5R,7R,8S,9R,11R,12S,14R,16S,17R,18S)-16,17,18-triacetyloxy-13-benzoyloxy-7-formyl-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]2C(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]1OC(C)=O)[C@@H]([C@@H]2OC(C)=O)[C@@]41C[C@@H](OC(=O)C2=CC=CC=C2)C[C@@](C)(C=O)[C@@H]51
InChI: InChI=1S/C41H43NO11/c1-20-27-30(53-38(48)25-15-11-8-12-16-25)28-34-40-18-26(52-37(47)24-13-9-7-10-14-24)17-39(5,19-43)32(40)29(42(34)6)36(51-23(4)46)41(28,35(20)50-22(3)45)33(40)31(27)49-21(2)44/h7-16,19,26-36H,1,17-18H2,2-6H3/t26-,27-,28+,29+,30?,31+,32+,33-,34+,35-,36-,39-,40-,41-/m0/s1
InChIKey: CXAMVBDGGDAZNR-UTNIQZFXSA-N
Reference
A Novel 19,21‐Secohetisan Diterpenoid Alkaloid from Aconitum tanguticum.
PubChem CID: 101733186
LOTUS: LTS0245558
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 725.7910000000004
TPSA？: 151.81
MolLogP？: 3.962500000000002
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|