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3-epi-6-deoxocathasterone

MNXM2482 is deprecated and here replaced by MNXM732999
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732999

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	1

formula

C₂₈H₅₀O₂

charge

mass

418.38108

reference

chebi:59410

InChIKey

ZHZKWZJLUNXOSN-LOCIZFEWSA-N

InChI

InChI=1S/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1

SMILES

CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:59410 chebi:59410	3-epi-6-deoxocathasterone (22S,24R)-5alpha-ergostane-3alpha,22-diol (3alpha,5alpha,22S,24R)-ergostane-3,22-diol 3-epi-6-Deoxocathasterone
seed.compound:cpd14967 seedM:cpd14967	3-epi-6-Deoxocathasterone 3-epi-6-deoxocathasterone
metacyc.compound:CPD-12493 metacycM:CPD-12493	3-epi-6-deoxocathasterone
lipidmaps:LMST01031120 lipidmapsM:LMST01031120	3-epi-6-deoxocathasterone 5alpha-campestan-3alpha,22S-diol O2 ST 28:0
seedM:M_cpd14967	secondary/obsolete/fantasy identifier