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(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33904

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

formula

C₂₅H₄₀O₄

charge

mass

404.29266

reference

chebi:137135

InChIKey

AOMQZQQKWZZTNV-OQGZJSIESA-N

InChI

InChI=1S/C25H40O4/c1-17-19(15-20(26)16-22(17)27)9-8-18-7-5-13-25(4)21(18)10-11-23(25)29-14-6-12-24(2,3)28/h8-9,20-23,26-28H,1,5-7,10-16H2,2-4H3/b18-8+,19-9-/t20-,21+,22+,23+,25+/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H](OCCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:137135 chebi:137135	(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol 1alpha,25-dihydroxy-21-nor-20-oxavitamin D3
lipidmaps:LMST03020029 lipidmapsM:LMST03020029	1alpha,25-dihydroxy-21-nor-20-oxavitamin D3 / 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol (5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol