CID 131751497

(3beta,4alpha,5alpha,23e)-4-methylergosta-7,23-dien-3-ol

Structural Information

Molecular Formula
C29H48O
SMILES
CC1C(CCC2(C1CC=C3C2CCC4(C3CCC4C(C)C/C=C(\C)/C(C)C)C)C)O
InChI
InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h8,10,18,20-21,23-27,30H,9,11-17H2,1-7H3/b19-8+
InChIKey
CTWRZEHGRSDRPG-UFWORHAWSA-N
Compound name
17-[(E)-5,6-dimethylhept-4-en-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.3705 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.37778 210.6
[M+Na]+ 435.35972 217.5
[M+NH4]+ 430.40432 222.0
[M+K]+ 451.33366 207.9
[M-H]- 411.36322 212.7
[M+Na-2H]- 433.34517 210.0
[M]+ 412.36995 212.4
[M]- 412.37105 212.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.