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]+ 307.263176 179.4
[M+Na]+ 329.245118 184.4
[M-H]- 305.248624 180.3
[M+NH4]+ 324.289723 205.5
[M+K]+ 345.219058 178.2
[M+H-H2O]+ 289.253160 173.5
[M+HCOO]- 351.254101 185.6
[M+CH3COO]- 365.269751 187.5
[M+Na-2H]- 327.230566 181.4
[M]+ 306.25535142 172.4
[M]- 306.25644858 172.4
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.