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Merck
CN

929948

Ursodeoxycholic acid-22,23,24-13C3 solution

≥98 atom % 13C, ≥-98% (CP), 100 μg/mL in methanol

Synonym(s):

(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[i]phenanthren-17-yl-2,3,4-13C3)pentanoic acid

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About This Item

Empirical Formula (Hill Notation):
13C3C21H40O4
Molecular Weight:
395.55
UNSPSC Code:
12142200
NACRES:
NA.13
Isotopic purity:
≥98 atom % 13C
Assay:
≥-98% (CP)
Mass shift:
M+3

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mass shift

M+3

Quality Level

200

InChI

1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1/i8+1,12+1,16+1

InChI key

RUDATBOHQWOJDD-AQETUQINSA-N

SMILES string

O[13C@@H]1[13CH2]C[C@@]2(C)[C@@](C[C@H](O)[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[13CH2]1

isotopic purity

≥98 atom % 13C

assay

≥-98% (CP)

concentration

100 μg/mL in methanol

Related Categories

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

49.5 °F

flash_point_c

9.7 °C

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD9188

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