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

Properties

Image

Occurences in reactions

MNX_ID

MNXM23284

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

formula

C₂₇H₄₄O₃

charge

mass

416.32905

reference

chebi:173066

InChIKey

OKWXSBKIQMWBRN-NGJDQXFBSA-N

InChI

InChI=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

SMILES

C=C1CC[C@H](O)C=C1[C@@H](/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)OO

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:173066 chebi:173066	(7E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol (1S)-3-[(1R,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:LMST03020252 lipidmapsM:LMST03020252	(7E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol