CID 21159897

26,27-bisnor-22-dehydro-cholesterol

Structural Information

Molecular Formula
C25H40O
SMILES
CC/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C25H40O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h6-8,17,19-23,26H,5,9-16H2,1-4H3/b7-6+/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey
XDPJDMBYHDXXRP-GVXIOPDWSA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-hex-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.30792 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31520 195.6
[M+Na]+ 379.29714 198.2
[M-H]- 355.30064 197.5
[M+NH4]+ 374.34174 216.4
[M+K]+ 395.27108 190.9
[M+H-H2O]+ 339.30518 188.8
[M+HCOO]- 401.30612 201.9
[M+CH3COO]- 415.32177 202.2
[M+Na-2H]- 377.28259 191.7
[M]+ 356.30737 187.6
[M]- 356.30847 187.6
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.