CID 11100884

Endere s

Structural Information

Molecular Formula
C23H36O4
SMILES
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OCC(CO)O)C
InChI
InChI=1S/C23H36O4/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(26)27-14-18(25)13-24/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3
InChIKey
HBKBEZURJSNABK-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

5898
Patents

376.26135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26863 194.9
[M+Na]+ 399.25057 196.9
[M-H]- 375.25407 195.1
[M+NH4]+ 394.29517 211.2
[M+K]+ 415.22451 193.6
[M+H-H2O]+ 359.25861 189.0
[M+HCOO]- 421.25955 201.5
[M+CH3COO]- 435.27520 217.6
[M+Na-2H]- 397.23602 193.1
[M]+ 376.26080 191.3
[M]- 376.26190 191.3
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

patents stripe