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(7E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol

PropertiesImage
MNX_IDMNXM24372 Image of MNXM24372
referencechebi:173067
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyOKWXSBKIQMWBRN-HLSOVJLGSA-N
InChIInChI=1S/C27H44O3/c1-18(2)8-6-9-20(4)24-13-14-25-21(10-7-15-27(24,25)5)16-26(30-29)23-17-22(28)12-11-19(23)3/h16-18,20,22,24-26,28-29H,3,6-15H2,1-2,4-5H3/b21-16+/t20-,22+,24-,25+,26+,27-/m1/s1
SMILESC=C1CC[C@H](O)C=C1[C@H](/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12)OO
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-18(2)8-6-9-20(4)24-13-14-25-21(10-7-15-27(24,25)5)16-26(30-29)23-17-22(28)12-11-19(23)3/h16-18,20,22,24-26,28-29H,3,6-15H2,1-2,4-5H3/b21-16+/t20-,22+,24-,25+,26+,27-/m1/s1 Image of MNXM24372
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:20]([CH3:4])[C@H:24]1[CH2:13][CH2:14][C@H:25]2/[C:21](=[CH:16]/[C@@H:26]([C:23]3=[CH:17][C@@H:22]([OH:28])[CH2:12][CH2:11][C:19]3=[CH2:3])[O:30][OH:29])[CH2:10][CH2:7][CH2:15][C@:27]12[CH3:5]
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

CHEBI:173067
chebi:173067
OKWXSBKIQMWBRN-HLSOVJLGSA-N 		(7E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol
(1S)-3-[(1S,2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-hydroperoxyethyl]-4-methylidenecyclohex-2-en-1-ol

lipidmaps:LMST03020253
lipidmapsM:LMST03020253
OKWXSBKIQMWBRN-HLSOVJLGSA-N 		(7E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol