CID 484432

Zqrngfsldvsiqu-wmzhiefxsa-n

Structural Information

Molecular Formula
C23H36O
SMILES
CC(C)C1=CC2=C(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=C1O)C(C)C
InChI
InChI=1S/C23H36O/c1-14(2)17-13-18-16(20(15(3)4)21(17)24)9-10-19-22(5,6)11-8-12-23(18,19)7/h13-15,19,24H,8-12H2,1-7H3/t19-,23+/m0/s1
InChIKey
ZQRNGFSLDVSIQU-WMZHIEFXSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-1,3-di(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

328.2766 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.28388 182.7
[M+Na]+ 351.26582 188.3
[M-H]- 327.26932 185.6
[M+NH4]+ 346.31042 202.8
[M+K]+ 367.23976 183.7
[M+H-H2O]+ 311.27386 176.8
[M+HCOO]- 373.27480 192.6
[M+CH3COO]- 387.29045 216.2
[M+Na-2H]- 349.25127 181.6
[M]+ 328.27605 179.9
[M]- 328.27715 179.9
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.