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Merck
CN

C2400

5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester

~97%

Synonym(s):

3α-Hydroxy-6-oxo-5α-cholan-24-oic acid methyl ester 3-acetate, Methyl 3α-acetoxy-6-oxo-5α-cholanate

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About This Item

Empirical Formula (Hill Notation):
C27H42O5
CAS Number:
Molecular Weight:
446.62
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
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assay

~97%

form

solid

SMILES string

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC(=O)[C@@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)CCC(=O)OC

InChI

1S/C27H42O5/c1-16(6-9-25(30)31-5)20-7-8-21-19-15-24(29)23-14-18(32-17(2)28)10-12-27(23,4)22(19)11-13-26(20,21)3/h16,18-23H,6-15H2,1-5H3/t16-,18-,19+,20-,21+,22+,23-,26-,27-/m1/s1

InChI key

KCGQCQPWFSUPDS-SFESAZTESA-N

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Global Trade Item Number

SKUGTIN
C2400-500MG04061832855868
NISTC240004061834190882

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