Spectrum CCMSLIB00000478075 for Paxisterol_120160

Rating: (*)(*)(*)(*)(*)

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
110945-69-2
C28H42O4
442.308309824
OC1CCC2(C)C(C1)CC3OC34C2CCC56C7OC(CC5C(O7)(C)CCC(=C)C(C)C)C46
InChI=1S/C28H42O4/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(30-19)32-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22-28(20,23)31-22/h15,17-24,29H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21?,22+,23-,24+,25+,26+,27-,28-/m1/s1
WUKYEOQJBJKFPH-VHCNFDLSSA-N