CID 484417

Hvewrrfrtsbend-htapyjjxsa-n

Structural Information

Molecular Formula
C22H32O3
SMILES
CC(C)C1=C(C(=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=O)O)OC
InChI
InChI=1S/C22H32O3/c1-13(2)18-14-8-9-17-21(3,4)10-7-11-22(17,5)16(14)12-15(20(23)24)19(18)25-6/h12-13,17H,7-11H2,1-6H3,(H,23,24)/t17-,22+/m0/s1
InChIKey
HVEWRRFRTSBEND-HTAPYJJXSA-N
Compound name
(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.23514 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 183.5
[M+Na]+ 367.22436 189.6
[M-H]- 343.22786 186.6
[M+NH4]+ 362.26896 202.7
[M+K]+ 383.19830 186.0
[M+H-H2O]+ 327.23240 177.6
[M+HCOO]- 389.23334 194.3
[M+CH3COO]- 403.24899 216.7
[M+Na-2H]- 365.20981 183.4
[M]+ 344.23459 182.8
[M]- 344.23569 182.8
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.