(1S,2R,5S,7S,10R,11S,14R,15S)-5-hydroxy-2,15-dimethyl-14-[(2S)-1-[(4R)-4-methyl-4,5-dihydro-3H-pyrrol-2-yl]-1-oxopropan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-8,16-dione
AlkaPlorer ID: AK114873
Synonym: None
IUPAC Name: (3S,5S,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S)-1-[(3R)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1-oxopropan-2-yl]-2,3,4,5,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-6,12-dione
Structure
SMILES: C[C@H]1CN=C(C(=O)[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)C1
InChI: InChI=1S/C27H39NO4/c1-14-9-22(28-13-14)25(32)15(2)18-5-6-19-17-11-23(30)21-10-16(29)7-8-26(21,3)20(17)12-24(31)27(18,19)4/h14-21,29H,5-13H2,1-4H3/t14-,15+,16+,17+,18-,19+,20+,21-,26-,27-/m1/s1
InChIKey: WKWLRYIJQILBLO-CHTGKLLNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria delavayi | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.6120000000003
TPSA？: 83.80000000000001
MolLogP？: 4.050200000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|