CID 484418

Xzdtufayjlryow-pgrdopggsa-n

Structural Information

Molecular Formula
C22H34O2
SMILES
CC(C)C1=C(C(=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)CO)OC
InChI
InChI=1S/C22H34O2/c1-14(2)19-16-8-9-18-21(3,4)10-7-11-22(18,5)17(16)12-15(13-23)20(19)24-6/h12,14,18,23H,7-11,13H2,1-6H3/t18-,22+/m0/s1
InChIKey
XZDTUFAYJLRYOW-PGRDOPGGSA-N
Compound name
[(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.2559 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26318 182.4
[M+Na]+ 353.24512 188.6
[M-H]- 329.24862 185.5
[M+NH4]+ 348.28972 202.4
[M+K]+ 369.21906 184.3
[M+H-H2O]+ 313.25316 176.2
[M+HCOO]- 375.25410 193.9
[M+CH3COO]- 389.26975 214.4
[M+Na-2H]- 351.23057 183.1
[M]+ 330.25535 181.5
[M]- 330.25645 181.5
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.