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C2525

5β-Cholanic acid-3α,12α-diol 3-acetate methyl ester

Synonym(s):

3α,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester, Methyl 3α-acetoxy-12α-hydroxycholanate

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About This Item

Empirical Formula (Hill Notation):
C27H44O5
CAS Number:
27240-83-1
Molecular Weight:
448.64
NACRES:
NA.77
PubChem Substance ID:
24892500
UNSPSC Code:
12352202
MDL number:
MFCD00069484
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form

solid

SMILES string

[H]C12CCC3C4CCC([C@H](C)CCC(=O)OC)C4(C)[C@@H](O)CC3C1(C)CC[C@H](C2)OC(C)=O

InChI

1S/C27H44O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-24,29H,6-15H2,1-5H3/t16-,18?,19-,20?,21?,22?,23?,24+,26?,27?/m1/s1

InChI key

FVYCOKNQUSFTBH-HJPVDDEFSA-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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Certificates of Analysis (COA)

Lot/Batch Number
033F0005

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Global Trade Item Number

SKUGTIN
C2525-500MG04061832269894