Wilfornine A

Catalog Number	ACM345954009
CAS Number	345954-00-9
IUPAC Name	[(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-Pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] benzoate
Molecular Weight	925.88
Molecular Formula	C45H51NO20
Canonical SMILES	CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C)OC(=O)C(CCC5=C(C=CC=N5)C(=O)OCC3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41-,42+,43+,44-,45+/m1/s1
InChI Key	YJDNHPICMWQYIV-VTPOCOLISA-N
Purity	95%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1970
Exact Mass	925.30044302
Heavy Atom Count	66
Isomeric SMILES	CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)[C@](CCC5=C(C=CC=N5)C(=O)OC[C@@]3(O4)C)(C)OC(=O)C6=CC=CC=C6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
Monoisotopic Mass	925.30044302
Topological Polar Surface Area	279Ų

Custom Q&A

What is the chemical name of Wilfornine A?

The chemical name of Wilfornine A is 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione, 10,13,14,22,23-pentakis(acetyloxy)-12-[(acetyloxy)methyl]-18-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, (8R,9R,10R,11S,12R,13R,14R,15S,21S,22S,23R)-.

What is the CAS number of Wilfornine A?

The CAS number of Wilfornine A is 345954-00-9.

What is the molecular formula of Wilfornine A?

The molecular formula of Wilfornine A is C45H51NO20.

What is the molecular weight of Wilfornine A?

The molecular weight of Wilfornine A is 925.89.

What is the predicted boiling point of Wilfornine A?

The predicted boiling point of Wilfornine A is 890.4±65.0 °C.

In what solvents is Wilfornine A soluble?

Wilfornine A is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the form of Wilfornine A?

Wilfornine A is in the form of a powder.

What is the predicted pKa value of Wilfornine A?

The predicted pKa value of Wilfornine A is 11.65±0.70.

What is the usage of Wilfornine A?

Wilfornine A is a sesquiterpene alkaloid that is isolated from Tripterygium wilfordii.

What are the synonyms of Wilfornine A?

The synonyms of Wilfornine A include various chemical names and the name "Wilfornine A" itself.

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