CID 157009890

4alpha,24-dimethylcholesta-7,24-dien-3beta-ol

Structural Information

Molecular Formula
C29H48O
SMILES
C[C@@H]1[C@H](CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCC(=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/h10,20-21,23-27,30H,8-9,11-17H2,1-7H3/t20-,21+,23?,24?,25?,26?,27+,28-,29+/m1/s1
InChIKey
KPIRFXVTLHBVFL-TXTDMRFKSA-N
Compound name
(3S,4S,10S,13R)-17-[(2R)-5,6-dimethylhept-5-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
1
Annotation Hits

0
References

0
Patents

412.3705 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.37778 211.3
[M+Na]+ 435.35972 212.4
[M-H]- 411.36322 212.7
[M+NH4]+ 430.40432 229.9
[M+K]+ 451.33366 205.6
[M+H-H2O]+ 395.36776 205.2
[M+HCOO]- 457.36870 214.0
[M+CH3COO]- 471.38435 232.0
[M+Na-2H]- 433.34517 202.7
[M]+ 412.36995 203.8
[M]- 412.37105 203.8
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.