CID 101293621

(24r)-4alpha,14alpha,24-trimethyl-5alpha-cholesta-8,25(27)-dien-3beta-ol

Structural Information

Molecular Formula
C30H50O
SMILES
C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CC[C@@H](C)C(=C)C)C)C
InChI
InChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h20-24,27,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
InChIKey
ZNGUCFLTOCTQKJ-XIEKADKWSA-N
Compound name
(3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 213.3
[M+Na]+ 449.37539 215.1
[M-H]- 425.37889 214.7
[M+NH4]+ 444.41999 233.3
[M+K]+ 465.34933 208.3
[M+H-H2O]+ 409.38343 207.4
[M+HCOO]- 471.38437 215.6
[M+CH3COO]- 485.40002 235.1
[M+Na-2H]- 447.36084 205.6
[M]+ 426.38562 206.7
[M]- 426.38672 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.