CID 52916190

Ent-16b-kauran-16,19-diol

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)C)CO
InChI
InChI=1S/C20H34O2/c1-17(13-21)8-4-9-18(2)15(17)7-10-20-11-14(5-6-16(18)20)19(3,22)12-20/h14-16,21-22H,4-13H2,1-3H3/t14-,15-,16+,17+,18-,19-,20+/m1/s1
InChIKey
XZESVXVYTBMYCR-WVMNWVHYSA-N
Compound name
(1S,4S,5R,9S,10R,13R,14R)-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 177.8
[M+Na]+ 329.24512 185.0
[M+NH4]+ 324.28972 192.9
[M+K]+ 345.21906 172.5
[M-H]- 305.24862 179.3
[M+Na-2H]- 327.23057 181.3
[M]+ 306.25535 179.7
[M]- 306.25645 179.7
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.