About: (2S,3R,4S,5S,7R)-3-(bromomethyl)-5-chloro-7-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol

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About: (2S,3R,4S,5S,7R)-3-(bromomethyl)-5-chloro-7-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	(2S,3R,4S,5S,7R)-3-(bromomethyl)-5-chloro-7-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol (en)
skos:prefLabel	(2S,3R,4S,5S,7R)-3-(bromomethyl)-5-chloro-7-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol (en)
name	(2S,3R,4S,5S,7R)-3-(bromomethyl)-5-chloro-7-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol (en)
isomeric SMILES	wds:Q105162604-D41A67E9-C6F6-4207-A67D-E38648586F0F
isomeric SMILES	C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](O)[C@@H](CBr)[C@H](CC)O1
instance of	wds:Q105162604-ED7182C1-52F0-491C-AC2A-0BA1D4618C2F
instance of	type of chemical entity
subclass of	wds:Q105162604-61CA6B75-9B74-47B1-A24F-BF84EAA8C561 wds:Q105162604-D6AC4D02-8347-416C-AB1F-634C5EDAD410 wds:Q105162604-FC43ED3D-E1E3-487B-BAF1-FC661B14FAD6
subclass of	3-(Bromomethyl)-5-chloro-7-((E)-1-chlorohex-3-en-5-ynyl)-2-ethyloxepan-4-ol (2R,3R,4R,5R,7S)-3-(bromomethyl)-5-chloro-7-[(Z)-1-chlorohex-3-en-5-ynyl]-2-ethyloxepan-4-ol 3-(bromomethyl)-5-chloro-7-(1-chlorohex-3-en-5-yn-1-yl)-2-ethyloxepan-4-ol
found in taxon	wds:Q105162604-201FF298-F679-448E-9014-C1A3CA0921A6
found in taxon	Spongia zimocca
canonical SMILES	wds:Q105162604-A23C9AFF-C361-470F-99E0-FC16CBFF1AC4
InChI	wds:Q105162604-405CB159-C454-4185-B6B9-AB28F8F4C61C
InChIKey	wds:Q105162604-481F95E3-768B-48CC-BDC6-057EFA2205D3
chemical formula	wds:Q105162604-A2A7DB8A-CDB0-4D66-BC02-3738419BA689
PubChem CID	wds:Q105162604-864FEF34-85AD-4B26-A059-F06DE615B5EF
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162955770
canonical SMILES	ClC(CC=CC#C)C1OC(CC)C(CBr)C(O)C(Cl)C1
InChI	InChI=1S/C15H21BrCl2O2/c1-3-5-6-7-11(17)14-8-12(18)15(19)10(9-16)13(4-2)20-14/h1,5-6,10-15,19H,4,7-9H2,2H3/b6-5-/t10-,11+,12-,13-,14+,15-/m0/s1
InChIKey	MFEVKEHDTZDLJG-WWVNFOFBSA-N
chemical formula	C₁₅H₂₁BrCl₂O₂
PubChem CID	162955770
mass	wds:Q105162604-212E375D-464C-4831-AF54-C8256D5992EE
mass	382.010197372 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105162604
is main subject of	Rogiolenyne A, B, and C: The First Branched Marine C15 Acetogenins. Isolation from the Red SeaweedLaurencia microcladia or the SpongeSpongia zimocca of II Rogiolo
is main subject of	wds:Q105162599-7613A769-928F-44A2-8583-FD4A50DE4888

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