Molecule

228092-28-2

AlkaPlorer ID: AK076425

Synonym: None

IUPAC Name: [(1R,5S,7R,9S,11Z,13R,14R,15R)-1,7,9-trihydroxy-11,14-dimethyl-5-[(E,2S,5R)-5-methyloct-6-en-2-yl]-3-oxo-4,17-dioxabicyclo[11.3.1]heptadec-11-en-15-yl] carbamate

Structure

SMILES: C/C=C/[C@H](C)CC[C@H](C)[C@@H]1C[C@H](O)C[C@@H](O)C/C(C)=C\[C@H]2O[C@@](O)(CC(=O)O1)C[C@@H](OC(=N)O)[C@H]2C

InChI: InChI=1S/C27H45NO8/c1-6-7-16(2)8-9-18(4)22-13-21(30)12-20(29)10-17(3)11-23-19(5)24(35-26(28)32)14-27(33,36-23)15-25(31)34-22/h6-7,11,16,18-24,29-30,33H,8-10,12-15H2,1-5H3,(H2,28,32)/b7-6+,17-11-/t16-,18-,19-,20-,21+,22-,23+,24+,27+/m0/s1

InChIKey: BANGRBLTEZMIJD-WLYPDXMKSA-N

Reference

Leucascandrolide B, a New 16-Membered, Extensively Methyl-Branched Polyoxygenated Macrolide from the Calcareous SpongeLeucascandra caveolata from Northeastern Waters of New Caledonia

PubChem CID: 163069840

LOTUS: LTS0115111

SuperNatural Ⅲ: SN0020334-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Leucascandra caveolata	Leucascandra	Jenkinidae	Leucosolenida	Calcarea	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 511.6560000000003

TPSA？: 149.53

MolLogP？: 3.7603700000000018

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi