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(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM29956

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₀H₄₄O₅

charge

mass

484.31887

reference

chebi:168740

InChIKey

HTRZGRPKCAYFKM-IDLGMLDDSA-N

InChI

InChI=1S/C30H44O5/c1-18(7-6-8-19(2)28(33)34)25-11-12-26-24-10-9-21-15-23(32)13-14-29(21,4)27(24)16-22(30(25,26)5)17-35-20(3)31/h13-15,18-19,22,24-27H,6-12,16-17H2,1-5H3,(H,33,34)/t18-,19+,22+,24+,25-,26+,27+,29+,30-/m1/s1

SMILES

CC(=O)OC[C@@H]1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)[C@@H]2CC[C@H]([C@H](C)CCC[C@H](C)C(=O)O)[C@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168740 chebi:168740	(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid (2S,6R)-6-[(8S,9S,10R,12R,13R,14S,17R)-12-(acetyloxymethyl)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
lipidmaps:LMST04030214 lipidmapsM:LMST04030214	(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid O5 ST 30:5