About: XWHQMHQKBZANIE-JMBFISCCSA-N

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About: XWHQMHQKBZANIE-JMBFISCCSA-N Goto Sponge NotDistinct Permalink

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

group of stereoisomers with the chemical formula C₅₈H₉₀O₁₅S₂

Attributes	Values
rdf:type	Item
description	groep van stereo-isomeren (nl) група стереоізомерів з хімічною формулою C₅₈H₉₀O₁₅S₂ (uk) group of stereoisomers with the chemical formula C₅₈H₉₀O₁₅S₂ (en)
rdfs:label	XWHQMHQKBZANIE-JMBFISCCSA-N (en)
skos:prefLabel	XWHQMHQKBZANIE-JMBFISCCSA-N (en)
name	XWHQMHQKBZANIE-JMBFISCCSA-N (en)
isomeric SMILES	wds:Q105343411-9D398EA0-8245-4BF8-BBF6-88192A6B6AC0
isomeric SMILES	C=C(C)[C@H]1C[C@H](C)[C@H](CC[C@@H](C)[C@H]2CC[C@H]3C4=C(CC[C@@]32C)[C@@]23CO[C@@](O)([C@@H](O)C2)C(C)(C)C3[C@@H](OS(=O)(=O)O)C4)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3C4=C(CC[C@@]32C)[C@@]23CO[C@@](O)([C@@H](O)C2)C(C)(C)C3[C@@H](OS(=O)(=O)O)C4)C1
instance of	wds:Q105343411-443BC763-CA97-4EF3-8647-3152017C9C4B
instance of	group of stereoisomers
subclass of	wds:Q105343411-72DC71F1-238B-485C-9E5B-60698160C593
subclass of	chemical substance
found in taxon	wds:Q105343411-1F71001E-C64C-4EFF-97ED-13DEA96E1FAC wds:Q105343411-CBE83EDC-E9F3-4BFF-835C-83901FE0F224
found in taxon	Crella Cliona
UniChem compound ID	wds:Q105343411-E3FDFE62-5AF7-4775-8328-2115EB093BF1
canonical SMILES	wds:Q105343411-61CF5AEA-1A1F-4CA0-8A50-E6643B0C3E39
InChI	wds:Q105343411-56BE8A9E-5745-4119-BD5F-2F5EE6C19F8F
InChIKey	wds:Q105343411-6A4D13C1-BE65-44EF-80BF-27320BB70B2C
chemical formula	wds:Q105343411-00B2926E-DC30-4A6E-B497-DDBDF94AED9C
PubChem CID	wds:Q105343411-DAA2BA2C-0F1C-41D9-A576-C2141D2CCFE5
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID101042761
UniChem compound ID	102905997
canonical SMILES	O=S(=O)(O)OC1CC2=C(CCC3(C)C2CCC3C(C)CCC4OC(CC(C(=C)C)CC4C)C(C)C5CCC6C7=C(CCC65C)C89COC(O)(C(O)C8)C(C)(C)C9C(OS(=O)(=O)O)C7)C%10%11COC(O)(C(O)C%10)C(C)(C)C1%11
InChI	InChI=1S/C58H90O15S2/c1-30(2)34-22-32(4)43(17-12-31(3)37-13-15-39-35-24-45(72-74(63,64)65)49-51(6,7)57(61)47(59)26-55(49,28-69-57)41(35)18-20-53(37,39)10)71-44(23-34)33(5)38-14-16-40-36-25-46(73-75(66,67)68)50-52(8,9)58(62)48(60)27-56(50,29-70-58)42(36)19-21-54(38,40)11/h31-34,37-40,43-50,59-62H,1,12-29H2,2-11H3,(H,63,64,65)(H,66,67,68)/t31-,32+,33+,34+,37-,38-,39+,40+,43+,44-,45+,46+,47+,48+,49?,50?,53-,54-,55+,56+,57+,58+/m1/s1
InChIKey	XWHQMHQKBZANIE-JMBFISCCSA-N
chemical formula	C₅₈H₉₀O₁₅S₂
PubChem CID	101042761
mass	wds:Q105343411-9A07D5A9-F563-4AB5-907E-F26853540C2A
mass	1090.57211418 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105343411
is main subject of	Isolation and structural elucidation of the crellastatins I-M: cytotoxic bis-steroid derivatives from the vanuatu marine sponge Crella sp
is main subject of	wds:Q57596490-EE1A9711-0825-4C60-88D9-FDE1D77A6A27

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