CID 4097385

Lycopersiconol

Structural Information

Molecular Formula
C21H34O3
SMILES
CC(=O)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O
InChI
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3
InChIKey
FGDFFHLIMDMCJI-UHFFFAOYSA-N
Compound name
1-(3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

334.2508 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 184.0
[M+Na]+ 357.24002 190.9
[M+NH4]+ 352.28462 195.4
[M+K]+ 373.21396 182.9
[M-H]- 333.24352 185.1
[M+Na-2H]- 355.22547 183.8
[M]+ 334.25025 185.3
[M]- 334.25135 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.