CID 157009934

23-dehydrocampestanol

Structural Information

Molecular Formula
C28H48O
SMILES
C[C@H](C/C=C(\C)/C(C)C)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C28H48O/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/h7,18,20-26,29H,8-17H2,1-6H3/b19-7+/t20-,21?,22+,23?,24?,25?,26?,27+,28-/m1/s1
InChIKey
ICOBDHPNAUQIMP-XYVHAVRISA-N
Compound name
(3S,10S,13R)-17-[(E,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.3705 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.37778 209.5
[M+Na]+ 423.35972 209.1
[M-H]- 399.36322 210.2
[M+NH4]+ 418.40432 228.1
[M+K]+ 439.33366 202.5
[M+H-H2O]+ 383.36776 203.2
[M+HCOO]- 445.36870 211.0
[M+CH3COO]- 459.38435 228.2
[M+Na-2H]- 421.34517 200.8
[M]+ 400.36995 199.7
[M]- 400.37105 199.7
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.