CID 11133505

Campest-5-en-3beta,22s-diol

Structural Information

Molecular Formula
C28H48O2
SMILES
C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C
InChI
InChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3/t18-,19+,21+,22?,23?,24?,25?,26+,27+,28-/m1/s1
InChIKey
LSZJAIFORSLKOY-NUKPFLLSSA-N
Compound name
(3S,10R,13S)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-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
3
Annotation Hits

1
References

2
Patents

416.36542 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.372696 212.1
[M+Na]+ 439.354638 211.5
[M-H]- 415.358144 211.8
[M+NH4]+ 434.399243 229.4
[M+K]+ 455.328578 206.1
[M+H-H2O]+ 399.362680 206.6
[M+HCOO]- 461.363621 212.5
[M+CH3COO]- 475.379271 229.9
[M+Na-2H]- 437.340086 203.4
[M]+ 416.36487142 203.9
[M]- 416.36596858 203.9
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.