Spiramine X
AlkaPlorer ID: AK059504
Synonym: ''
IUPAC Name: 2-[(1R,5R,8R,10S,11R,14S,16R,17S,18S)-18-acetyloxy-5-methyl-13-methylidene-6-oxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-7-yl]ethyl acetate
Structure
SMILES: C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCOC(C)=O)[C@@H]1O[C@@H]3[C@@H](OC(C)=O)[C@@H]24
InChI: InChI=1S/C26H35NO6/c1-14-13-25-9-6-17(14)12-18(25)26-8-5-7-24(4)20(26)19(32-16(3)29)21(25)33-23(26)27(22(24)30)10-11-31-15(2)28/h17-21,23H,1,5-13H2,2-4H3/t17-,18+,19-,20+,21+,23+,24+,25+,26+/m0/s1
InChIKey: XOUUATNSZMQFKV-PWZYYRLUSA-N
Reference
Three New Diterpene Alkaloids from Spiraea japonica
PubChem CID: 163096589
LOTUS: LTS0049684
SuperNatural Ⅲ: SN0435998-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 457.5670000000002
TPSA？: 82.14000000000001
MolLogP？: 3.2173000000000016
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|