About: [(1R,4S,5bR,11aS,13S,13aS,13bS)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate

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About: [(1R,4S,5bR,11aS,13S,13aS,13bS)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₂₉H₄₄O₆

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₂₉H₄₄O₆ (en) група стереоізомерів з хімічною формулою C₂₉H₄₄O₆ (uk)
rdfs:label	[(1R,4S,5bR,11aS,13S,13aS,13bS)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate (en)
skos:prefLabel	[(1R,4S,5bR,11aS,13S,13aS,13bS)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate (en)
name	[(1R,4S,5bR,11aS,13S,13aS,13bS)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate (en)
isomeric SMILES	wds:Q105299008-BA3F933A-A549-410D-8F87-9F047922D30E
isomeric SMILES	CC(=O)O[C@H]1CC2[C@](C)([C@@H](O)CC3[C@@]4(C)CCCC(C)(C)C4CC[C@]32C)[C@H]2C1=CO[C@@H]2OC(C)=O
instance of	wds:Q105299008-E1305B66-BCB3-4C93-8930-BE4114877774
instance of	group of stereoisomers
subclass of	wds:Q105299008-C8CB3E44-1A48-4651-8EBB-149AC0418968
subclass of	scalarane sesterterpenoid
UniChem compound ID	wds:Q105299008-8F30A532-D20F-40B2-953E-ECEEE6063407
canonical SMILES	wds:Q105299008-97CC9EC2-7B5D-4D55-BF9A-9DC942239B48
InChI	wds:Q105299008-EFBBEAA9-2A39-471F-B0B3-BB44AE896624
InChIKey	wds:Q105299008-E589CF48-CEFC-4CB1-BBA0-AA22F9F2CEEF
chemical formula	wds:Q105299008-43416BB4-253B-4B55-9CDE-FF5E1148127B
PubChem CID	wds:Q105299008-50C79ED1-28EE-46D6-A05B-3189FFC820EB
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5352070
UniChem compound ID	47303036
canonical SMILES	O=C(OC1OC=C2C(OC(=O)C)CC3C4(C)CCC5C(C)(C)CCCC5(C)C4CC(O)C3(C)C21)C
InChI	InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20?,21?,22?,23-,24-,25+,27-,28+,29+/m0/s1
InChIKey	VYIQDOVNWPEWRJ-KBNDUUKASA-N
chemical formula	C₂₉H₄₄O₆
PubChem CID	5352070
mass	wds:Q105299008-2584FAB3-4379-4F29-91C6-AB26882B605A
mass	488.3137891279999 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105299008
is subclass of of	Heteronemin [(1S,4S,5aR,5bR,7aR,11aS,11bS,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate [(1S,4S,5aR,5bR,7aS,11aS,11bS,13S,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate (1-Acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate
is subclass of of	wds:Q105299010-2C8E804F-024F-4D7A-94C4-6F86D881D86C wds:Q82962738-FFC9CCC1-11B1-4094-80F2-BB4EE6457753 wds:Q105299009-71C8B8CC-2BCF-4CD2-806B-661D840C310A wds:Q104397064-3FBAB28C-F28F-4C7F-944D-DD5F5F2BFD8C
is main subject of	Antitubercular Sesterterpenes from the Thai Sponge Brachiaster sp.
is main subject of	wds:Q105299007-3CCF5359-9C3E-4A5A-AC38-1502E50BB590

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