Delavinone
AlkaPlorer ID: AK015763
Synonym: '', 'Ebinone', '20,22-Diepisinpeinine A', '20-Epieduardine', 'Puqiedinone', '(-)-Songbeinone', 'Zhebeirine', 'Ebeiedinone', 'Sinpeinine A', 'Hupehenirine', 'Dongbeinine', 'Songbeinone', 'Chuanbeinone', 'Eduardine'
IUPAC Name: (1R,2S,6S,9S,10R,11S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Structure
SMILES: C[C@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1
InChI: InChI=1S/C27H43NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-25,29H,4-14H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24+,25-,27+/m0/s1
InChIKey: MWBJDDYEYGDWCZ-UWGLCIHQSA-N
Reference
Steroidal alkaloids of Fritillaria maximowiczii
PubChem CID: 5316984
LOTUS: LTS0274745
SuperNatural Ⅲ: SN0236944-23
NPASS: NPC306084
data_source: manually
Source
Properties Information
Molecule Weight: 413.6460000000002
TPSA？: 40.54
MolLogP？: 4.771400000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
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