Spectrum CCMSLIB00000849233 for NCGC00381095-01_C26H44O8_7-Hydroxy-4-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenyl beta-D-mannopyranoside

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
n/a
n/a
InChI=1S/C26H44O8/c1-14(9-11-27)6-7-16-15(2)17(12-19-25(3,4)20(29)8-10-26(16,19)5)33-24-23(32)22(31)21(30)18(13-28)34-24/h9,16-24,27-32H,2,6-8,10-13H2,1,3-5H3/b14-9-/t16?,17?,18-,19?,20?,21-,22+,23+,24-,26?/m1/s1
C26H44O8
484.303618368
OCC=C(C)CCC1C(=C)C(OC2OC(CO)C(O)C(O)C2O)CC3C(C)(C)C(O)CCC13C
JECOCDKQCZSANH-RFKAOMIISA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
484.304
1
negative
A4_RA4_01_8254.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.6992938843278305
0.7086605923138317
529.302
[M+FA-H]-