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:
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)
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