Spectrum VF-NPL-LTQ006320 for 3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C15H20O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,12-13,16H,6-10H2,1H3/t12-,13-,15+/m1/s1
C15H20O
216.15141526
OC1CCC2(C=3C=CC=CC3CCC2C1)C
MVNJNWNFUCRWBW-NFAWXSAZSA-N

Mass Spectral Metadata

NameValue
35
NP_C1_343_p3_C09_NEG_iTree_12.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
214.94859299836335
M-H
909.7350157492739 ppm
-0.19554626163665034 Da