(1R,2R,5S,7S,10S,11S,14R,15S)-14-[(1S)-1-[(2R,3R,7S)-2,7-dimethyl-1-oxa-5-azaspiro[2.5]oct-4-en-4-yl]ethyl]-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
AlkaPlorer ID: AK526208
Synonym: None
IUPAC Name: (3S,5S,8S,9S,10R,13S,14S,17R)-17-[1-[(2R,3R,5S)-2,5-dimethyl-1-oxa-7-azaspiro[2.5]oct-7-en-8-yl]ethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Structure
SMILES: CC(C1=NC[C@@H](C)C[C@@]12O[C@@H]2C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C29H45NO3/c1-16-14-29(18(3)33-29)26(30-15-16)17(2)21-6-7-22-20-13-25(32)24-12-19(31)8-10-28(24,5)23(20)9-11-27(21,22)4/h16-24,31H,6-15H2,1-5H3/t16-,17?,18+,19-,20-,21+,22-,23-,24+,27+,28+,29-/m0/s1
InChIKey: SRGGAOPAJJPYRZ-BCZWKUJYSA-N
Reference
Structure of the steroid alkaloid radpetine from Petilium raddeana
PubChem CID: 101610833
LOTUS: LTS0136355
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria raddeana | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 455.68300000000033
TPSA？: 62.19
MolLogP？: 5.459600000000006
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|