Spectrum BSU00002 for Cyclopamine

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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
Natural Product; Alkaloid
InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
QASFUMOKHFSJGL-LAFRSMQTSA-N
C27H41NO2
411.31372955200004
OC1CC2=CCC3C4C(=C(C)C5(OC6CC(C)CNC6C5C)CC4)CC3C2(C)CC1

Mass Spectral Metadata

NameValue
BSU00002
2016.01.19 (Created 2012.12.18, modified 2013.07.16)
Chandler, C. and Habig, J. Boise State University
CC BY-SA
Chandler, C., Habig, J. and McDougal O. Boise State University
Data obtained from a cyclopamine standard purchased from Logan Natural Products, Logan, Utah USA.
411.31372
Bruker maXis ESI-QTOF
LC-ESI-QTOF
MS2
positive
3.9703693878634407
0.862154758133342
412.3
[M+H]+
52.63049236000388 ppm
-0.0216995520000296 Da