(1S,2R,3S,6R,9S,10R,11R,14R,17S,18R,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one
AlkaPlorer ID: AK583846
Synonym: None
IUPAC Name: (1S,6S,9S,11R,14R,17S,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C5C[C@@H]6CC[C@@](O)(C5C(=O)O6)C([C@@H](O)C23)[C@@H]14
InChI: InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12?,13-,14?,15?,16+,17?,18+,20-,21+,22-/m0/s1
InChIKey: YPSAOPXJHSESSR-MMOBYWJYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum seravschanicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.508
TPSA？: 79.23
MolLogP？: 1.1852999999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|