CID 207342

Dihydrolyoniol b

Structural Information

Molecular Formula
C20H34O6
SMILES
C[C@]1(CC23C[C@@H]1CC[C@H]2[C@@]([C@@H]4C[C@@H](C([C@]4([C@@H]([C@H]3O)O)O)(C)C)O)(C)O)O
InChI
InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-8-19(11,9-17(10,3)24)14(22)15(23)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11-,12-,13-,14+,15+,17+,18+,19?,20-/m0/s1
InChIKey
MZWHHKYLYHLLHP-IPYUSOFXSA-N
Compound name
(2S,3R,4R,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.23553 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.242806 189.3
[M+Na]+ 393.224748 196.4
[M-H]- 369.228254 188.5
[M+NH4]+ 388.269353 212.9
[M+K]+ 409.198688 190.6
[M+H-H2O]+ 353.232790 188.4
[M+HCOO]- 415.233731 192.1
[M+CH3COO]- 429.249381 208.8
[M+Na-2H]- 391.210196 190.2
[M]+ 370.23498142 183.6
[M]- 370.23607858 183.6
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.