CID 171117821

24-methyl-5alpha-cholesta-7,9(11), 24(28)-trien-3beta-ol

Structural Information

Molecular Formula
C28H42O
SMILES
C[C@H](/C=C/C(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C28H42O/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/h7-8,10,14,18,20-22,24-25,29H,3,9,11-13,15-17H2,1-2,4-6H3/b8-7+/t20-,21+,22+,24-,25+,27+,28-/m1/s1
InChIKey
JYHFGQHMORWPTD-FUWPVARKSA-N
Compound name
(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methyl-5-methylidenehept-3-en-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.32358 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33086 205.6
[M+Na]+ 417.31280 207.5
[M-H]- 393.31630 207.3
[M+NH4]+ 412.35740 224.6
[M+K]+ 433.28674 200.0
[M+H-H2O]+ 377.32084 199.1
[M+HCOO]- 439.32178 210.3
[M+CH3COO]- 453.33743 226.7
[M+Na-2H]- 415.29825 199.0
[M]+ 394.32303 198.1
[M]- 394.32413 198.1
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.