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]+ 301.252606 174.3
[M+Na]+ 323.234548 181.1
[M-H]- 299.238054 177.7
[M+NH4]+ 318.279153 195.7
[M+K]+ 339.208488 176.4
[M+H-H2O]+ 283.242590 168.4
[M+HCOO]- 345.243531 186.0
[M+CH3COO]- 359.259181 209.3
[M+Na-2H]- 321.219996 175.4
[M]+ 300.24478142 171.5
[M]- 300.24587858 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.