About: [(3R,6S,8R,11S,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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About: [(3R,6S,8R,11S,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₄₀H₅₈O₄

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) група стереоізомерів з хімічною формулою C₄₀H₅₈O₄ (uk) group of stereoisomers with the chemical formula C₄₀H₅₈O₄ (en)
rdfs:label	[(3R,6S,8R,11S,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (en)
skos:prefLabel	[(3R,6S,8R,11S,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (en)
name	[(3R,6S,8R,11S,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (en)
isomeric SMILES	wds:Q104391696-A843A835-70A7-4E03-9F00-D3EBD940B58E
isomeric SMILES	COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34CC35CC[C@]3(C)C(C(C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O
instance of	wds:Q104391696-AB2E8E4B-158C-41E3-BE46-591E7B6CA859
instance of	group of stereoisomers
subclass of	wds:Q104391696-D9AC55D3-4EFF-45EE-8416-2894FDC4CBCE wds:Q104391696-DE5B5904-7345-4D33-8CA2-5B7EEAFEDFA1
subclass of	alkyl caffeate ester cycloartane triterpenoid
UniChem compound ID	wds:Q104391696-A46724B7-0A76-48F2-B0A4-DCF08B2A93FC
canonical SMILES	wds:Q104391696-9E4BE32F-BF62-4763-9F55-EB1621D00939
InChI	wds:Q104391696-1826AEC9-F464-4453-9D0D-D00BE6B5AA18
InChIKey	wds:Q104391696-4595487A-219A-41D8-B530-5E6F060D4D5A
chemical formula	wds:Q104391696-AD4757E1-F004-433E-B88B-875C739D2ECB
PubChem CID	wds:Q104391696-A0EBE4C8-BF8C-429B-8A38-B39AA7B63125
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID134695320
UniChem compound ID	166870553
canonical SMILES	O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC=C(C)C)C=CC6=CC=C(O)C(OC)=C6
InChI	InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27?,29?,32-,33-,34-,37+,38-,39+,40?/m0/s1
InChIKey	FODTZLFLDFKIQH-VVRSCMOVSA-N
chemical formula	C₄₀H₅₈O₄
PubChem CID	134695320
mass	wds:Q104391696-33D899D7-1051-4CEF-9902-136B77FD2537
mass	602.433510336 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104391696
is subclass of of	cycloartenyl ferulate (incomplete stereochemistry)
is subclass of of	wds:Q27137778-207AEB09-FD40-4289-B2DB-1F3CAA3585FF

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