Aglaxiflorin D

Datasheet MSDS
Catalog Number
ANC00091
Product Name
Aglaxiflorin D
Structure
Aglaxiflorin D
CAS Number
269739-78-8
IUPAC Name
(2R)-N-[(2S)-1-[(1R,9R,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-10-carbonyl]pyrrolidin-2-yl]-2-hydroxy-2-methylbutanamide
Synonyms
AglaxiflorinD; AglaxiflorineD; Butanamide,2-hydroxy-2-methyl-N-[(2S)-1-[[(2R,3R,4S,5R,10S)-2,3,4,5-tetrahydro-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4-phenyl-2,5-methano-1-benzoxepin-3-yl]carbonyl]-2-pyrrolidinyl]-,(2R)-
Molecular Formula
C36H42N2O9
Molecular Weight
646.727
Appearance
Powder
Purity
95%
Density
1.4±0.1g/cm3
SMILES
CC[C@](C)(C(=O)N[C@@H]1CCCN1C(=O)[C@@H]2[C@H]([C@@]3([C@@H]([C@]2(OC4=C3C(=CC(=C4)OC)OC)C5=CC=C(C=C5)OC)O)O)C6=CC=CC=C6)O
InChI
InChI=1S/C36H42N2O9/c1-6-34(2,42)33(41)37-27-13-10-18-38(27)31(39)30-28(21-11-8-7-9-12-21)35(43)29-25(46-5)19-24(45-4)20-26(29)47-36(30,32(35)40)22-14-16-23(44-3)17-15-22/h7-9,11-12,14-17,19-20,27-28,30,32,40,42-43H,6,10,13,18H2,1-5H3,(H,37,41)/t27-,28+,30-,32-,34+,35+,36-/m0/s1
InChI Key
PCTLEJMLOGCLOH-JZUOIRBSSA-N
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