Trigothysoid N

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1608
CAS
1501943-08-3
Product Name
Trigothysoid N
Structure

Product Details

Description
Trigothysoid N is extracted from the twigs and leaves of Trigonostemon thyrsoideum.
Synonyms
Butanoic acid, 3-methyl-, (2S,4S,4aS,5R,7R,10S,11S,12E,14Z,17aS,18S,20R,20aS,21S,21aR,22aS,23S,23aR,24R,26S,27R)-4,4a,5,6,7,8,9,10,11,16,17a,18,19,20,20a,21,21a,22a,23,23a-eicosahydro-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,26,27-tetramethyl-16-oxo-2-phenyl-4,24-methanolo-2,20,23-(epoxymethe...
IUPAC Name
[6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.119,22.01,8.02,26.03,5.07,11.025,30]tritriaconta-14,16-dien-18-yl] 3-methylbutanoate
Molecular Weight
794.95
Molecular Formula
C44H58O13
Canonical SMILES
CC1CC2C34C(C5C6(C(C3C7C(O7)(C(C2(C1OC(=O)C=CC=CC(C8CCC(C8C)CC6(C)O)OC(=O)CC(C)C)O)O)CO)OC(O5)(O4)C9=CC=CC=C9)O)C
InChI
InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3
InChIKey
ZAVYYYQORHVVFN-UHFFFAOYSA-N
Density
1.39±0.1 g/cm3(Predicted)
Appearance
Powder
Color
Yellow
Form
Powder
Packaging
1 mg
pKa
12.10±0.70(Predicted)
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