1-Cinnamoyltrichilinin

Catalog Number
ANC04109
Product Name
1-Cinnamoyltrichilinin
CAS Number
117869-72-4
IUPAC Name
[(1S,2S,4R,5R,6R,10S,11R,12S,15S,16S,18R,19S)-4,16-diacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-18-yl] (E)-3-phenylprop-2-enoate
Synonyms
24-?Norchola-?5,?14,?20,?22-?tetraeno[6,?5,?4-?bc]?furan-?1,?3,?7,?12-?tetrol,21,?23-?epoxy-?4,?5,?5',?6-?tetrahydro-?4,?8-?dimethyl-?,3,?12-?diacetate1-?[(2E)?-?3-?phenyl-?2-?propenoate]?,(1α,?3α,?4β,?5α,?6β,?7α,?12α,?13α,?17α)?-; 24-Norchola-5,14,20,22-tetraeno[6,5,4-bc]furan-1,3,7,12-tetrol,21,23-epoxy-4,5,5',6-tetrahydro-4,8-dimethyl-,3,12-diacetate1-(3-phenyl-2-propenoate),[1α(E),3α,4β,5α,6β,7α,12α,13α,17α]-; 1-Cinnamoyltrichilinin; 1-O-Cinnamoyltrichilinin; Trichilinin1-trans-cinnamate
Molecular Formula
C39H46O9
Molecular Weight
658.78
Appearance
Solid Powder
Purity
>98%
Density
1.28±0.1g/cm3
Solubility
Soluble in DMSO
Boiling Point
708.7±60.0°C|Condition: Press: 760 Torr
Storage
Store in a cool and dry place and at 0-4°C for short term (days to weeks) or -42°C for long term (months to years).
SMILES
CC(=O)O[C@@H]1C[C@H]2[C@@]3([C@@H](C[C@@H]([C@]4([C@H]3[C@@H]([C@@H]([C@@]2(C5=CC[C@@H]([C@@]15C)C6=COC=C6)C)O)OC4)C)OC(=O)C)OC(=O)/C=C/C7=CC=CC=C7)C
InChI
InChI=1S/C39H46O9/c1-22(40)46-29-19-31(48-32(42)15-12-24-10-8-7-9-11-24)39(6)28-18-30(47-23(2)41)37(4)26(25-16-17-44-20-25)13-14-27(37)38(28,5)35(43)33-34(39)36(29,3)21-45-33/h7-12,14-17,20,26,28-31,33-35,43H,13,18-19,21H2,1-6H3/b15-12+/t26-,28-,29+,30-,31-,33+,34-,35+,36+,37-,38-,39-/m1/s1
InChI Key
DGVWCAONVNVPRJ-AOUSSYOSSA-N
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