CID 52931322

22,23-epoxycampesterol

Structural Information

Molecular Formula
C28H46O2
SMILES
C[C@@H]([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)C5C(O5)[C@@H](C)C(C)C
InChI
InChI=1S/C28H46O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7,16-18,20-26,29H,8-15H2,1-6H3/t17-,18-,20-,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1
InChIKey
ZPODYVOEXOEZAC-RHVMODGISA-N
Compound name
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[3-[(2S)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-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

414.3498 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.35708 201.7
[M+Na]+ 437.33902 204.7
[M-H]- 413.34252 207.5
[M+NH4]+ 432.38362 213.9
[M+K]+ 453.31296 201.3
[M+H-H2O]+ 397.34706 196.3
[M+HCOO]- 459.34800 203.4
[M+CH3COO]- 473.36365 207.6
[M+Na-2H]- 435.32447 195.6
[M]+ 414.34925 198.7
[M]- 414.35035 198.7
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.