CID 484431

Lwowosjtnjwsht-fddchvkysa-n

Structural Information

Molecular Formula
C23H36O2
SMILES
CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)C(C)(C)O)(CCCC3(C)C)C
InChI
InChI=1S/C23H36O2/c1-14(2)19-15-9-10-18-21(3,4)11-8-12-23(18,7)16(15)13-17(20(19)24)22(5,6)25/h13-14,18,24-25H,8-12H2,1-7H3/t18-,23+/m0/s1
InChIKey
LWOWOSJTNJWSHT-FDDCHVKYSA-N
Compound name
(4bS,8aS)-3-(2-hydroxypropan-2-yl)-4b,8,8-trimethyl-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

344.27155 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27883 186.7
[M+Na]+ 367.26077 192.5
[M-H]- 343.26427 188.5
[M+NH4]+ 362.30537 205.6
[M+K]+ 383.23471 188.0
[M+H-H2O]+ 327.26881 181.7
[M+HCOO]- 389.26975 194.7
[M+CH3COO]- 403.28540 215.5
[M+Na-2H]- 365.24622 187.8
[M]+ 344.27100 184.1
[M]- 344.27210 184.1
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.