CID 484430

Naexxlvhavjlna-pgrdopggsa-n

Structural Information

Molecular Formula
C22H32O2
SMILES
CC(C)C1=C(C(=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=O)C)O
InChI
InChI=1S/C22H32O2/c1-13(2)19-15-8-9-18-21(4,5)10-7-11-22(18,6)17(15)12-16(14(3)23)20(19)24/h12-13,18,24H,7-11H2,1-6H3/t18-,22+/m0/s1
InChIKey
NAEXXLVHAVJLNA-PGRDOPGGSA-N
Compound name
1-[(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.24023 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24751 180.1
[M+Na]+ 351.22945 186.4
[M-H]- 327.23295 183.3
[M+NH4]+ 346.27405 200.0
[M+K]+ 367.20339 182.1
[M+H-H2O]+ 311.23749 174.4
[M+HCOO]- 373.23843 190.8
[M+CH3COO]- 387.25408 214.6
[M+Na-2H]- 349.21490 179.8
[M]+ 328.23968 177.9
[M]- 328.24078 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.