Heliosupine N-oxide

Catalog Number	ACM31701889
CAS Number	31701-88-9
IUPAC Name	[(7S,8R)-7-[(Z)-2-Methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Molecular Weight	413.46
Molecular Formula	C20H31NO8
Canonical SMILES	CC=C(C)C(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(C)O)(C(C)(C)O)O)[O-]
InChI	InChI=1S/C20H31NO8/c1-6-12(2)17(23)29-15-8-10-21(27)9-7-14(16(15)21)11-28-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15-,16+,20-,21?/m0/s1
InChI Key	KDJGEXAPDZNXSD-QWNUQHEASA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	730
Exact Mass	413.20496695
Heavy Atom Count	29
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O)[O-]
Monoisotopic Mass	413.20496695
Topological Polar Surface Area	131Ų

Custom Q&A

What is the chemical name of the compound Heliosupine N-oxide?

The chemical name of the compound Heliosupine N-oxide is D-erythro-Pentitol, 1,5-dideoxy-4-C-methyl-3-C-[[[(1S,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-4-oxido-1H-pyrrolizin-7-yl]methoxy]carbonyl]-.

What is the CAS number of Heliosupine N-oxide?

The CAS number of Heliosupine N-oxide is 31701-88-9.

What is the molecular formula of Heliosupine N-oxide?

The molecular formula of Heliosupine N-oxide is C20H31NO8.

What is the molecular weight of Heliosupine N-oxide?

The molecular weight of Heliosupine N-oxide is 413.47.

At what temperature does Heliosupine N-oxide decompose?

Heliosupine N-oxide decomposes at a melting point of 151°C.

What is the predicted pKa value of Heliosupine N-oxide?

The predicted pKa value of Heliosupine N-oxide is 12.41±0.29.

What plant is Heliosupine N-oxide isolated from?

Heliosupine N-oxide has been isolated from CygnogZossum viridij70rum Pall.

How was the structure of Heliosupine N-oxide established?

The structure of Heliosupine N-oxide has been established by comparison with that of heliosupine.

In which research publication was Heliosupine N-oxide referenced?

Heliosupine N-oxide was referenced in the publication "Rast. Resur., 8, 243 (1972)" by Man'ko.

What type of compound is Heliosupine N-oxide?

Heliosupine N-oxide is a pyrrolizidine alkaloid derivative of heliosupine.

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