Wilfordinine D

Catalog Number	ACM256937981
CAS Number	256937-98-1
IUPAC Name	[(1S,3R,18S,19R,20R,21R,22S,23R,25R,26S)-20,22,23,25-Tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-9-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
Molecular Weight	857.81
Molecular Formula	C41H47NO19
Canonical SMILES	CC1CCC2=C(C=NC=C2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI	InChI=1S/C41H47NO19/c1-19-9-10-25-11-13-42-15-27(25)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)26-12-14-52-16-26)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h11-16,19,28-34,51H,9-10,17-18H2,1-8H3/t19?,28?,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1
InChI Key	MULDBYDFNDGEHV-KVITVWAGSA-N
Purity	94%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1790
Exact Mass	857.27422827
Heavy Atom Count	61
Isomeric SMILES	CC1CCC2=C(C=NC=C2)C(=O)OC[C@]3(C4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H]([C@]([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
Monoisotopic Mass	857.27422827
Topological Polar Surface Area	266Ų

Custom Q&A

What are the possible uses of Wilfordinine D?

Wilfordinine D can be used in various pharmaceutical and chemical applications.

What is the CAS number of Wilfordinine D?

The CAS number of Wilfordinine D is 256937-98-1.

What is the molecular formula of Wilfordinine D?

The molecular formula of Wilfordinine D is Wilfordinine D.

What is the molecular weight of Wilfordinine D?

The molecular weight of Wilfordinine D is 857.82.

What is the boiling point of Wilfordinine D?

The boiling point of Wilfordinine D is predicted to be 858.6±65.0 °C.

What is the density of Wilfordinine D?

The density of Wilfordinine D is predicted to be 1.43±0.1 g/cm3.

What is the pka value of Wilfordinine D?

The pka value of Wilfordinine D is predicted to be 11.59±0.70.

What is the chemical structure of Wilfordinine D?

The chemical structure of Wilfordinine D is (7S,10S,11S,12S,13R,14S,15R,16R,17R,22R,23R,24R)-14,15,22,23-tetrakis(acetyloxy)-13-[(acetyloxy)methyl]-5,7,8,10,11,13,14,15,16,17,18,20-dodecahydro-11-hydroxy-7,11,17-trimethyl-8,20-dioxo-12,17-epoxy-10,13-ethano-12,16-methano-6H,12H-[1,9]dioxacyclooctadecino[3,4-c]pyridin-24-yl ester.

How can Wilfordinine D be synthesized?

Wilfordinine D can be synthesized using specific chemical reactions and processes as per the molecular formula.

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