Aglain C

Datasheet MSDS
Catalog Number
ANC00090
Product Name
Aglain C
Structure
Aglain C
CAS Number
177468-85-8
IUPAC Name
(2S)-N-[(2S)-1-[(1S,9S,10S,11R,12R)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide
Synonyms
AglainC; AglaineC; Butanamide,2-methyl-N-[(2S)-1-[[(2S,3S,4R,5S,10R)-2,3,4,5-tetrahydro-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,5-methano-1-benzoxepin-4-yl]carbonyl]-2-pyrrolidinyl]-,(2S)-
Molecular Formula
C36H42N2O8
Molecular Weight
630.727
Appearance
Powder
Purity
96%
Density
1.3±0.1g/cm3
SMILES
CC[C@H](C)C(=O)N[C@@H]1CCCN1C(=O)[C@@H]2[C@H]([C@@]3([C@@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI
InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21-,28-,29+,31-,34+,35+,36+/m0/s1
InChI Key
KPCVKSYNYMIDEN-JQCYSCQSSA-N
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