Spectrum VF-NPL-LTQ002757 for (2S,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-ol

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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/C15H26O2/c1-10-7-12(16)9-15(4)6-5-11(8-13(10)15)14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13?,15+/m1/s1
C15H26O2
238.193280072
OC1CC(=C)C2CC(CCC2(C)C1)C(O)(C)C
XZXBGGYJQALVAW-VSUHMYSYSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_720_p12_D10_NEG_iTree_06.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
236.9543172700809
M-H
977.7699118898912 ppm
-0.2316868019190963 Da