CID 217391

38776-77-1

Structural Information

Molecular Formula
C20H34O5
SMILES
C[C@@H]1[C@@H]2CCC3[C@@H](C2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O)O
InChI
InChI=1S/C20H34O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h10-16,21-25H,5-9H2,1-4H3/t10-,11+,12?,13+,14+,15-,16+,18-,19?,20+/m1/s1
InChIKey
IGKWESNBSFVVHE-VYIUWCHKSA-N
Compound name
(3R,4R,6S,8S,9R,10S,14R,16S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.24063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24791 167.9
[M+Na]+ 377.22985 170.8
[M+NH4]+ 372.27445 178.7
[M+K]+ 393.20379 166.5
[M-H]- 353.23335 165.8
[M+Na-2H]- 375.21530 168.6
[M]+ 354.24008 167.9
[M]- 354.24118 167.9
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.