C74407
5α-Cholestan-3-one
97%
Synonym(s):
3-Keto-5α-cholestane
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About This Item
Empirical Formula (Hill Notation):
C27H46O
CAS Number:
Molecular Weight:
386.65
UNSPSC Code:
12352103
MDL number:
assay
97%
optical activity
[α]20/D +42°, c = 1 in chloroform
mp
128-130 °C (lit.)
SMILES string
[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
InChI
1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key
PESKGJQREUXSRR-UXIWKSIVSA-N
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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