CID 5283645

24-methylene,25-methylcholesta-5-en-3beta-ol

Structural Information

Molecular Formula
C29H48O
SMILES
C[C@H](CCC(=C)C(C)(C)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/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,19,22-26,30H,2,8-9,11-18H2,1,3-7H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey
QXDHYSHOINNEAZ-HSIBUNQISA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,6-dimethyl-5-methylideneheptan-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

0
References

22
Patents

412.3705 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.377776 211.8
[M+Na]+ 435.359718 212.7
[M-H]- 411.363224 213.0
[M+NH4]+ 430.404323 230.3
[M+K]+ 451.333658 205.9
[M+H-H2O]+ 395.367760 205.9
[M+HCOO]- 457.368701 214.0
[M+CH3COO]- 471.384351 230.3
[M+Na-2H]- 433.345166 206.2
[M]+ 412.36995142 204.2
[M]- 412.37104858 204.2
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.