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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | taxane | |
| Synonyms |
(4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene taxane |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36064 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:1605-68-1
|
|
| formula |
C20H36
|
|
| has_exact_synonym |
taxane
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene
|
|
| id |
CHEBI:36064
|
|
| in_subset | ||
| inchi |
InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1
|
|
| inchikey |
DKPFODGZWDEEBT-QFIAKTPHSA-N
|
|
| label |
taxane
|
|
| mass |
276.49984
|
|
| monoisotopicmass |
276.28170
|
|
| notation |
CHEBI:36064
|
|
| prefLabel |
taxane
|
|
| smiles |
[H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C
|
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| treeView | ||
| subClassOf |
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