Spectrum CCMSLIB00000849238 for NCGC00380230-01_C26H40O9_2,4a,6-Trihydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d][7]annulen-7-yl beta-D-glucopyranoside

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/C26H40O9/c1-12(2)14-9-13-5-6-17-25(3,4)18(28)7-8-26(17,33)10-15(13)19(29)23(14)35-24-22(32)21(31)20(30)16(11-27)34-24/h9,12,16-18,20-22,24,27-33H,5-8,10-11H2,1-4H3/t16-,17?,18?,20-,21+,22-,24+,26?/m1/s1
C26H40O9
496.26723286
OC1=C(OC2OC(CO)C(O)C(O)C2O)C(=CC3=C1CC4(O)CCC(O)C(C)(C)C4CC3)C(C)C
XQWLUDAZDUBMCD-AVRSQHCNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
496.267
1
negative
G9_GG9_01_8245.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.2382553974166457
0.42840696669342754
495.26
[M-H]-
0.08710576263476774 ppm
4.314000000249507E-5 Da