CID 5743073

9,11a-methano-11ah-cyclohepta[a]naphthalene-6,8-diol, tetradecahydro-4,4,9,11b-tetramethyl-, (4as,6s,6as,8r,9s,11as,11bs)-

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@]12CCCC([C@@H]1C[C@@H]([C@@H]3[C@@]24CCC(C4)([C@@H](C3)O)C)O)(C)C
InChI
InChI=1S/C20H34O2/c1-17(2)6-5-7-19(4)15(17)11-14(21)13-10-16(22)18(3)8-9-20(13,19)12-18/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16-,18?,19+,20+/m1/s1
InChIKey
YQMNVINYONRZOE-DYQWAPBFSA-N
Compound name
(1S,2S,7S,9S,10S,12R)-2,6,6,13-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecane-9,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 178.0
[M+Na]+ 329.24512 184.0
[M-H]- 305.24862 179.3
[M+NH4]+ 324.28972 204.5
[M+K]+ 345.21906 177.8
[M+H-H2O]+ 289.25316 172.6
[M+HCOO]- 351.25410 184.2
[M+CH3COO]- 365.26975 186.6
[M+Na-2H]- 327.23057 179.7
[M]+ 306.25535 171.4
[M]- 306.25645 171.4
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.