Pregnane-3,20-diamine; (3β,5α,20S)-form, N3,N3,N20-Tri-Me, N20-benzoyl
AlkaPlorer ID: AK311023
Synonym: 3-Epiisopachysamine H
IUPAC Name: None
Structure
SMILES: CC(C1CCC2C3CCC4CC(N(C)C)CCC4(C)C3CCC21C)N(C)C(=O)C1=CC=CC=C1
InChI: InChI=1S/C31H48N2O/c1-21(33(6)29(34)22-10-8-7-9-11-22)26-14-15-27-25-13-12-23-20-24(32(4)5)16-18-30(23,2)28(25)17-19-31(26,27)3/h7-11,21,23-28H,12-20H2,1-6H3
InChIKey: KYTINBZRODVXGP-UHFFFAOYSA-N
Reference
CAS: 2055146-77-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcococca saligna | Sarcococca | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 464.7380000000002
TPSA？: 23.55
MolLogP？: 6.736200000000008
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|