Name: Name:2-Octanoyl-1,3-Distearin-octanoic-1-13C
Brand: Angene
SKU: AG0098X1
Rating: 90 (10 reviews)

2-Octanoyl-1,3-Distearin-octanoic-1-13C

CAS No.:

121043-30-9

Catalog Number:

AG0098X1

Molecular Formula:

Molecular Weight:

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Purity

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Product Description

Catalog Number:

AG0098X1

Chemical Name:

2-Octanoyl-1,3-Distearin-octanoic-1-13C

CAS Number:

121043-30-9

MDL Number:

MFCD29917804

IUPAC Name:

(3-octadecanoyloxy-2-(113C)octanoyloxypropyl) octadecanoate

InChI:

InChI=1S/C47H90O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-36-39-45(48)51-42-44(53-47(50)41-38-33-12-9-6-3)43-52-46(49)40-37-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h44H,4-43H2,1-3H3/i47+1

InChI Key:

ROSIALNPQYBSCH-RBMVYKJLSA-N

Properties

Complexity:

733

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

751.677g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

752.223g/mol

Monoisotopic Mass:

751.677g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

19.8

Literature

Title	Journal
On a refinement of the ¹³C-mixed TAG breath test.	The British journal of nutrition 20120101