CID 3042239

Dtxsid90974665

Structural Information

Molecular Formula
C20H34O5
SMILES
C[C@]1(CC23C[C@H]([C@]4([C@@H](CCC4(C)C)[C@]([C@@H]2CCC1[C@@H]3O)(C)O)O)O)O
InChI
InChI=1S/C20H34O5/c1-16(2)8-7-13-18(4,24)12-6-5-11-15(22)19(12,10-17(11,3)23)9-14(21)20(13,16)25/h11-15,21-25H,5-10H2,1-4H3/t11?,12-,13-,14+,15-,17+,18+,19?,20-/m0/s1
InChIKey
XQUCGIPDHAQMMV-LARXQSJUSA-N
Compound name
(3R,4R,8S,9R,10R,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,9,14,16-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.24063 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.247906 186.8
[M+Na]+ 377.229848 193.8
[M-H]- 353.233354 187.0
[M+NH4]+ 372.274453 211.5
[M+K]+ 393.203788 187.3
[M+H-H2O]+ 337.237890 185.0
[M+HCOO]- 399.238831 190.9
[M+CH3COO]- 413.254481 194.2
[M+Na-2H]- 375.215296 187.8
[M]+ 354.24008142 180.7
[M]- 354.24117858 180.7
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.