CID 44152131

85391-72-6

Structural Information

Molecular Formula
C23H32O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCC4)CCC5=C3C=CC(=C5)O
InChI
InChI=1S/C23H32O2/c1-23-13-12-19-18-9-7-16(24)14-15(18)6-8-20(19)21(23)10-11-22(23)25-17-4-2-3-5-17/h7,9,14,17,19-22,24H,2-6,8,10-13H2,1H3/t19-,20-,21+,22+,23+/m1/s1
InChIKey
WKZKZQHUIXPPDM-VROINQGHSA-N
Compound name
(8R,9S,13S,14S,17S)-17-cyclopentyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.24023 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 186.3
[M+Na]+ 363.22945 189.8
[M-H]- 339.23295 192.4
[M+NH4]+ 358.27405 207.2
[M+K]+ 379.20339 183.1
[M+H-H2O]+ 323.23749 179.4
[M+HCOO]- 385.23843 196.9
[M+CH3COO]- 399.25408 194.6
[M+Na-2H]- 361.21490 182.9
[M]+ 340.23968 178.8
[M]- 340.24078 178.8
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.