CID 484428

Zfyrltvfxsqipe-laubaehrsa-n

Structural Information

Molecular Formula
C21H32O
SMILES
CC1=CC2=C(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=C1O)C(C)C
InChI
InChI=1S/C21H32O/c1-13(2)18-15-8-9-17-20(4,5)10-7-11-21(17,6)16(15)12-14(3)19(18)22/h12-13,17,22H,7-11H2,1-6H3/t17-,21+/m0/s1
InChIKey
ZFYRLTVFXSQIPE-LAUBAEHRSA-N
Compound name
(4bS,8aS)-3,4b,8,8-tetramethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.24533 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.25261 174.3
[M+Na]+ 323.23455 181.1
[M-H]- 299.23805 177.7
[M+NH4]+ 318.27915 195.7
[M+K]+ 339.20849 176.4
[M+H-H2O]+ 283.24259 168.4
[M+HCOO]- 345.24353 186.0
[M+CH3COO]- 359.25918 209.3
[M+Na-2H]- 321.22000 175.4
[M]+ 300.24478 171.5
[M]- 300.24588 171.5
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.