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5alpha,8alpha-epidioxy-(22E,24R)-23-methylergosta-6,22-dien-3beta-ol

PropertiesImage
MNX_IDMNXM115077 Image of MNXM115077
referencelipidmapsM:LMST01031329
formulaC29H46O3
global charge0
mol weight442.684
InChIKeyBEFYGZGLHDYVIF-YPQQYYBDSA-N
InChIInChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1
SMILESC/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)[C@H](C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1 Image of MNXM115077
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@@H:21]([CH3:5])/[C:19]([CH3:3])=[CH:16]/[C@@H:20]([CH3:4])[C@H:23]1[CH2:8][CH2:9][C@@H:24]2[C@:26]1([CH3:6])[CH2:12][CH2:11][C@@H:25]1[C@@:27]3([CH3:7])[CH2:13][CH2:10][C@H:22]([OH:30])[CH2:17][C@:28]34[CH:14]=[CH:15][C@:29]21[O:32][O:31]4
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMST01031329
lipidmapsM:LMST01031329
BEFYGZGLHDYVIF-YPQQYYBDSA-N 		5alpha,8alpha-epidioxy-(22E,24R)-23-methylergosta-6,22-dien-3beta-ol
O3
ST 29:3
hmdb:HMDB0032668
BEFYGZGLHDYVIF-KNTRCKAVSA-N 		(3beta,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol
(3b,22E,24R)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol
(3beta,22E,24R)-5,8-epidioxy-23-methylergosta-6,22-dien-3-ol
6,10-dimethyl-5-[(3E)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol

CHEBI:219014
chebi:219014
BEFYGZGLHDYVIF-DPXMGVADSA-N 		5alpha,8alpha-epidioxy-23-methyl-(22E,24R)-ergosta-6,22-dien-3beta-OL
(1S,6R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

hmdb:HMDB32668 		secondary/obsolete/fantasy identifier