Spectrum CCMSLIB00005723855 for h_268_isomere_de_oxymetholone_m2

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
O=C1CC2CCC3C4=C(CCC3C2(C)CC1C)C(C)(CO)CC4
InChI=1S/C21H32O2/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13-,14?,15?,18?,20-,21-/m0/s1
C21H32O2
316.240230264
YKELUTWGCGLPTM-WBNQDIJOSA-N