Trigonosin F

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1607
CAS
1262842-73-8
Product Name
Trigonosin F
Structure

Product Details

Description
Trigonosin F is extracted from the twigs and leaves of Trigonostemon thyrsoideum.
Synonyms
4,24-methanolo-2,20,23-(epoxymetheno)-7,10-methanolocyclopenta[b]-1,3-dioxino[4,5-h]oxireno[e]oxacycloheneicosin-16(4H)-one, 11-(benzoyloxy)-4a,5,6,7,8,9,10,11,17a,18,19,20,20a,21,21a,22a,23,23a-octadecahydro-4a,5,20a,21-tetrahydroxy-21a-(hydroxymethyl)-5,18,26,27-tetramethyl-2-phenyl-, (2R,4R,4aR,5S,7S...
IUPAC Name
[(14E,16E)-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] benzoate
Molecular Weight
814.94
Molecular Formula
C46H54O13
Canonical SMILES
CC1CC2C34C(C5C6(C(C3C7C(O7)(C(C2(C1OC(=O)C=CC=CC(C8CCC(C8C)CC6(C)O)OC(=O)C9=CC=CC=C9)O)O)CO)OC(O5)(O4)C1=CC=CC=C1)O)C
InChI
InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/t24?,25?,26?,28-,30-,31?,32+,34+,35?,36?,37?,38?,40?,41-,42+,43-,44+,45+,46?/m1/s1
InChIKey
ZDIWBBJUVBDSOV-IEGXLOKTSA-N
Density
1.45±0.1 g/cm3(Predicted)
Appearance
Powder
Color
Yellow
Form
Powder
Packaging
1 mg
pKa
12.10±0.70(Predicted)
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