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(21S23S)-Epoxy-21α-methoxy-7α24S25-trihydroxy- 4α4β8β10β-tetramethyl-25-dimethyl-1418-cyclo-5α13 α- 14 α17α-cholestan-3β-N-methylanthranilic acid ester

AlkaPlorer ID: AK037838

Synonym: '321-Di-epi-feroniellide B'

IUPAC Name: [(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-(methylamino)benzoate

Structure

SMILES: CNC1=CC=CC=C1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H]4C[C@H]([C@H](O)C(C)(C)O)O[C@H]4OC)[C@]3(C)[C@H](O)C[C@H]2C1(C)C

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InChI: InChI=1S/C39H59NO7/c1-34(2)28-20-29(41)37(6)27(36(28,5)16-15-30(34)47-32(43)22-11-9-10-12-25(22)40-7)14-17-38-21-39(37,38)18-13-24(38)23-19-26(46-33(23)45-8)31(42)35(3,4)44/h9-12,23-24,26-31,33,40-42,44H,13-21H2,1-8H3/t23-,24-,26+,27+,28-,29+,30-,31-,33+,36+,37-,38+,39+/m0/s1

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InChIKey: YERUMUXLLQMXCB-RYYKTKLLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Raulinoa echinata Raulinoa Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 653.9010000000002

TPSA？: 117.48000000000002

MolLogP？: 6.173000000000008

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina LD50 100.0 ug ml-1 10.1021/np0103970
Trypanosoma cruzi Trypanosoma cruzi IC50 1000.0 ug.mL-1 10.1021/np0103970

Metabolism Information