Pregna-5,20-dien-3-ol; 3β-form, 3-O-(2-Acetamido-3-O-acetyl-2-deoxy-4,6-di-O-butanoyl-β-D-galactopyranoside)
AlkaPlorer ID: AK310992
Synonym: Muricin 4
IUPAC Name: [5-acetamido-4-acetyloxy-3-butanoyloxy-6-[(17-ethenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy]oxan-2-yl]methyl butanoate
Structure
SMILES: C=CC1CCC2C3CC=C4CC(OC5OC(COC(=O)CCC)C(OC(=O)CCC)C(OC(C)=O)C5NC(C)=O)CCC4(C)C3CCC12C
InChI: InChI=1S/C39H59NO9/c1-8-11-32(43)45-22-31-35(49-33(44)12-9-2)36(46-24(5)42)34(40-23(4)41)37(48-31)47-27-17-19-39(7)26(21-27)13-15-28-29-16-14-25(10-3)38(29,6)20-18-30(28)39/h10,13,25,27-31,34-37H,3,8-9,11-12,14-22H2,1-2,4-7H3,(H,40,41)
InChIKey: LJBNASZGCDIODB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Muricea fruticosa | Muricea | Plexauridae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 685.899
TPSA？: 126.46
MolLogP？: 6.353100000000007
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|