Spectrum CCMSLIB00000079011 for "[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate"

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
C24H32O4
384.230059504
O=C(OC1(C(=O)C)CCC2C3C=C(C4=CC(=O)CCC4(C)C3CCC21C)C)C
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
RQZAXGRLVPAYTJ-GQFGMJRRSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial
qTof
384.23
1
NCP003352_E2_F11_BC6_01_15720.mzXML
GNPS-NIH-CLINICALCOLLECTION1
negarg, Garg_Neha, Dorrestein
positive
4.218670238975264
0.656615757189541
385.237
[M+H]+
2.672391281141889 ppm
-0.001029503999973258 Da