CID 131753018

(3beta,22e,24r)-ergosta-4,6,8(14),22-tetraen-3-ol

Structural Information

Molecular Formula
C28H42O
SMILES
CC(C)C(C)/C=C/C(C)C1CCC2=C3C=CC4=CC(CCC4(C3CCC12C)C)O
InChI
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,22,24,26,29H,11-16H2,1-6H3/b8-7+
InChIKey
SHHHPKBCWIDXJY-BQYQJAHWSA-N
Compound name
17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.32358 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33086 204.6
[M+Na]+ 417.31280 213.3
[M+NH4]+ 412.35740 216.2
[M+K]+ 433.28674 203.1
[M-H]- 393.31630 207.1
[M+Na-2H]- 415.29825 206.1
[M]+ 394.32303 206.8
[M]- 394.32413 206.8
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.