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]+ 307.263176 178.0
[M+Na]+ 329.245118 184.0
[M-H]- 305.248624 179.3
[M+NH4]+ 324.289723 204.5
[M+K]+ 345.219058 177.8
[M+H-H2O]+ 289.253160 172.6
[M+HCOO]- 351.254101 184.2
[M+CH3COO]- 365.269751 186.6
[M+Na-2H]- 327.230566 179.7
[M]+ 306.25535142 171.4
[M]- 306.25644858 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.