Pregna-5,20-dien-3-ol; 3β-form, 3-O-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-galactopyranoside)
AlkaPlorer ID: AK310995
Synonym: Muricin 1
IUPAC Name: [5-acetamido-3,4-diacetyloxy-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 acetate
Structure
SMILES: C=CC1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5NC(C)=O)CCC4(C)C3CCC12C
InChI: InChI=1S/C35H51NO9/c1-8-23-10-12-27-26-11-9-24-17-25(13-15-35(24,7)28(26)14-16-34(23,27)6)44-33-30(36-19(2)37)32(43-22(5)40)31(42-21(4)39)29(45-33)18-41-20(3)38/h8-9,23,25-33H,1,10-18H2,2-7H3,(H,36,37)
InChIKey: SMZQPRINAIITQH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Muricea fruticosa | Muricea | Plexauridae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 629.7909999999999
TPSA？: 126.46
MolLogP？: 4.792700000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|