About: [(3R,3aS,4S,6R,8aS)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate

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About: [(3R,3aS,4S,6R,8aS)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate 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	[(3R,3aS,4S,6R,8aS)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate (en)
skos:prefLabel	[(3R,3aS,4S,6R,8aS)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate (en)
name	[(3R,3aS,4S,6R,8aS)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate (en)
isomeric SMILES	wds:Q105170118-630B44A1-34A6-41EC-96C2-485B16F11CB1
stereoisomer of	wds:Q105170118-D08FF44E-7FA9-493E-8CD5-6E78BA92893B wds:Q105170118-E54D7589-4051-43C9-A24E-06CC4DA4B8C1
isomeric SMILES	CC(C)[C@]1(O)CC[C@@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@H]21
stereoisomer of	Kuhistanicaol G [(3R,3aS,4S,6S,8aR)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate
instance of	wds:Q105170118-112FF60B-F536-4161-BA13-8F702E17642E
instance of	type of chemical entity
subclass of	wds:Q105170118-5C706F43-5321-4CB1-87F6-B2BE8F8DE00F
subclass of	[(3R,6S)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate
found in taxon	wds:Q105170118-C75F52A3-3AAE-465B-9100-1B844416C2A2
found in taxon	Ferula kuhistanica
canonical SMILES	wds:Q105170118-948AC252-3B72-4AFE-8C95-F36A0F256080
InChI	wds:Q105170118-BC1EFAB1-C8E3-4E27-BD25-CC79E1BA0526
InChIKey	wds:Q105170118-920C77A7-05FD-461C-A4DE-F3DBABB0914E
chemical formula	wds:Q105170118-8490571B-4F62-451F-9BC0-F43046688DF2
PubChem CID	wds:Q105170118-EEC63725-9117-4D1B-82CD-5ADE9418472F
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163005866
canonical SMILES	O=C(OC1CC(O)(C=CC2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(O)C=C3
InChI	InChI=1S/C22H30O5/c1-14(2)22(26)12-10-20(3)9-11-21(4,25)13-17(18(20)22)27-19(24)15-5-7-16(23)8-6-15/h5-9,11,14,17-18,23,25-26H,10,12-13H2,1-4H3/t17-,18+,20+,21-,22+/m0/s1
InChIKey	MQNDIFGHQSDIOB-QRKBLAFPSA-N
chemical formula	C₂₂H₃₀O₅
PubChem CID	163005866
mass	wds:Q105170118-0D3DE1A1-9AD9-4DE6-94DD-D011CD16ECA4
mass	374.20932406 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105170118
is stereoisomer of of	Kuhistanicaol G [(3R,3aS,4S,6S,8aR)-3,6-dihydroxy-6,8a-dimethyl-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-hydroxybenzoate
is stereoisomer of of	wds:Q105170119-0D96BB3E-88E5-4A7D-9392-E0668A431E64 wds:Q105170120-AD387864-6DC2-46B6-996A-D068DC5DA327
is main subject of	Sesquiterpenoids from Ferula kuhistanica
is main subject of	wds:Q74278595-91B838BE-75FF-4D51-8A50-DBD8F53D9C2D

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