Molecule

Xylogranatin H

AlkaPlorer ID: AK091130

Synonym: '(+)-Xylogranatin H'

IUPAC Name: (4S,8S,10R,14S,18R,19R)-18-(furan-3-yl)-10-hydroxy-4,9,9,19-tetramethyl-5,17-dioxa-2-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1,3(11),12-triene-6,16-dione

Structure

SMILES: CC1(C)[C@@H](O)C2=CC3=C(CC[C@]4(C)[C@H]3CC(=O)O[C@H]4C3=COC=C3)N=C2[C@@]2(C)OC(=O)C[C@@H]12

InChI: InChI=1S/C26H29NO6/c1-24(2)18-11-20(29)33-26(18,4)21-15(22(24)30)9-14-16-10-19(28)32-23(13-6-8-31-12-13)25(16,3)7-5-17(14)27-21/h6,8-9,12,16,18,22-23,30H,5,7,10-11H2,1-4H3/t16-,18-,22-,23-,25+,26-/m0/s1

InChIKey: YLSUPZOCEGYMQL-PQTKUSSNSA-N

Reference

Xylogranatins F–R: Antifeedants from the Chinese Mangrove, <i>Xylocarpus granatum</i>, A New Biogenetic Pathway to Tetranortriterpenoids

PubChem CID: 101848626

LOTUS: LTS0147774

SuperNatural Ⅲ: SN0453818-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Xylocarpus granatum	Xylocarpus	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 451.5190000000002

TPSA？: 98.86

MolLogP？: 4.250400000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi