Senaetnine

Catalog Number	ACM64191691
CAS Number	64191-69-1
Synonyms	Senaetnin
Molecular Weight	389.4
InChI	InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20-/m1/s1
InChI Key	NTGIQQBAUYBEBF-ZCXFZNNUSA-N
Purity	95%+
Complexity	730
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	389.14745207
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@H](CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C
Monoisotopic Mass	389.14745207
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	101 Ų

Custom Q&A

What is the chemical formula for senaetnine?

The chemical formula for senaetnine is C20H23NO7.

What is the molecular weight of senaetnine?

The molecular weight of senaetnine is 389.4.

What is the predicted boiling point of senaetnine?

The predicted boiling point of senaetnine is 627.2±55.0 °C.

From where has senaetnine been obtained?

Senaetnine has been obtained from an unclassified species of Senecio.

How does senaetnine crystallize?

Senaetnine crystallizes as colourless needles from Et20-light petroleum.

What are some reported optical rotations of senaetnine?

Some reported optical rotations of senaetnine are: [α]D +10.6°, lams +11.10, [α]D +12.6°, [α]D +13.1°, [α]D +31.5° (c 2.5, CHCl3).

What is the ChEBI definition of senaetnine?

The ChEBI definition of senaetnine is that it is a member of pyrrolizines.

What are some synonyms for senaetnine?

Some synonyms for senaetnine are Senaetnin and [1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7,13(9H)-trione, 6-(acetyloxy)-3-ethylidene-3,4,5,6,14,14a-hexahydro-5,6-dimethyl-, (3Z,5R,6R,14aS)-.

What is the predicted density of senaetnine?

The predicted density of senaetnine is 1.34±0.1 g/cm3.

What is the predicted pKa of senaetnine?

The predicted pKa of senaetnine is -8.30±0.60.

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