About: (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-10-one

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About: (1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-10-one Goto Sponge NotDistinct Permalink

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group of stereoisomers with the chemical formula C₃₆H₆₀O₉

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) group of stereoisomers with the chemical formula C₃₆H₆₀O₉ (en) група стереоізомерів з хімічною формулою C₃₆H₆₀O₉ (uk)
rdfs:label	(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-10-one (en)
skos:prefLabel	(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-10-one (en)
name	(1R,3aS,3bS,7S,9aR,9bR,11aR)-1-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-3a,6,6,9b,11a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-10-one (en)
isomeric SMILES	wds:Q105331468-330629C3-AEAD-45DA-90BE-6D681E8E498D
isomeric SMILES	C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](OC5OC(CO)C(O)C(O)C5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
instance of	wds:Q105331468-D9ED8541-0BCA-4D2F-A31C-5A468263EFCB
instance of	group of stereoisomers
subclass of	wds:Q105331468-D2DEC97D-8806-4913-8A59-D2DAEF046490
subclass of	cucurbitane triterpenoid
UniChem compound ID	wds:Q105331468-52E5D7AF-2D15-4AD7-93AA-5AD794EAE9DE
canonical SMILES	wds:Q105331468-AD24E53E-D9F3-44DE-B086-B485DA449C7E
InChI	wds:Q105331468-8F62796B-D10B-46C7-BF31-8377465F3473
InChIKey	wds:Q105331468-4DE13FE7-78EA-4D18-BC57-CD5D48068C50
chemical formula	wds:Q105331468-8394D91C-6464-4CC4-A17B-5923CBF20C80
PubChem CID	wds:Q105331468-6E005D87-FC43-481D-A82C-81775D64DFB3
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID399494
UniChem compound ID	27248323
canonical SMILES	O=C1CC2(C)C(CCC2(C)C3CC=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C13C)C(C)CCC(O)C(O)(C)C
InChI	InChI=1S/C36H60O9/c1-19(9-13-25(38)33(4,5)43)20-15-16-34(6)24-12-10-21-22(36(24,8)26(39)17-35(20,34)7)11-14-27(32(21,2)3)45-31-30(42)29(41)28(40)23(18-37)44-31/h10,19-20,22-25,27-31,37-38,40-43H,9,11-18H2,1-8H3/t19-,20-,22-,23?,24+,25-,27+,28?,29?,30?,31?,34+,35-,36+/m1/s1
InChIKey	XMWIWVZEGGOMAU-LLTPEREOSA-N
chemical formula	C₃₆H₆₀O₉
PubChem CID	399494
mass	wds:Q105331468-3B65F351-3C45-42EE-8EAC-7CE4113C2964
mass	636.4237334999998 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105331468
is subclass of of	Cabenoside D
is subclass of of	wds:Q105331467-780DA57B-53A4-4BCD-BE1A-9C05D67D308B

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