Pregna-5,20-dien-3-ol; 3β-form, 3-O-(2-Acetamido-3,6-di-O-acetyl-2-deoxy-4-O-butanoyl-β-D-galactopyranoside)
AlkaPlorer ID: AK310994
Synonym: Muricin 3
IUPAC Name: [5-acetamido-4-acetyloxy-2-(acetyloxymethyl)-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-3-yl] butanoate
Structure
SMILES: C=CC1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(=O)CCC)C(OC(C)=O)C5NC(C)=O)CCC4(C)C3CCC12C
InChI: InChI=1S/C37H55NO9/c1-8-10-31(42)47-33-30(20-43-22(4)40)46-35(32(38-21(3)39)34(33)44-23(5)41)45-26-15-17-37(7)25(19-26)11-13-27-28-14-12-24(9-2)36(28,6)18-16-29(27)37/h9,11,24,26-30,32-35H,2,8,10,12-20H2,1,3-7H3,(H,38,39)
InChIKey: BUTYMPIHOBYBQW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Muricea fruticosa | Muricea | Plexauridae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 657.8449999999999
TPSA？: 126.46
MolLogP？: 5.572900000000005
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|