Spectrum CCMSLIB00000850529 for NCGC00380865-01_C28H42O10_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a-(acetyloxy)-9-[(hexopyranosyloxy)methyl]-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-7-hydroxy-1,1,3,6-tetramethyl-, (8E)-

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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
n/a
n/a
InChI=1S/C28H42O10/c1-13-8-18-17(27(18,4)5)7-6-16(12-36-26-24(34)23(33)22(32)20(11-29)37-26)9-19-21(31)14(2)10-28(19,25(13)35)38-15(3)30/h8-9,14,17-24,26,29,31-34H,6-7,10-12H2,1-5H3/b13-8+,16-9+
C28H42O10
538.277797544
O=C(OC12C(=O)C(=CC3C(CCC(=CC2C(O)C(C)C1)COC4OC(CO)C(O)C(O)C4O)C3(C)C)C)C
WJZFXCPBSLOUNH-CTWANCMXSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
538.278
1
negative
E4_RE4_01_8280.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.807643462771802
0.8254867764833203
583.276
[M+FA-H]-