CID 14680449

24,26-cyclocholesterol

Structural Information

Molecular Formula
C27H44O
SMILES
C[C@H]1C[C@@H]1CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI
InChI=1S/C27H44O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h7,17-19,21-25,28H,5-6,8-16H2,1-4H3/t17-,18+,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
KQRCOBZIWSKXCB-POEGTNMLSA-N
Compound name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(1S,2S)-2-methylcyclopropyl]butan-2-yl]-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
1
Annotation Hits

1
References

0
Patents

384.3392 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.34648 197.6
[M+Na]+ 407.32842 201.5
[M-H]- 383.33192 202.9
[M+NH4]+ 402.37302 212.3
[M+K]+ 423.30236 195.5
[M+H-H2O]+ 367.33646 191.3
[M+HCOO]- 429.33740 202.4
[M+CH3COO]- 443.35305 204.0
[M+Na-2H]- 405.31387 192.8
[M]+ 384.33865 193.1
[M]- 384.33975 193.1
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.