CID 85659

Oprea1_805296

Structural Information

Molecular Formula
C22H32O3
SMILES
CC12CCC(CC1=CCC3C2CCC4(C3CCC45CCC(=O)O5)C)O
InChI
InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3
InChIKey
XBSQQVJXPODPRW-UHFFFAOYSA-N
Compound name
3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

344.23514 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.242416 186.4
[M+Na]+ 367.224358 191.9
[M-H]- 343.227864 192.1
[M+NH4]+ 362.268963 210.1
[M+K]+ 383.198298 186.1
[M+H-H2O]+ 327.232400 180.2
[M+HCOO]- 389.233341 193.4
[M+CH3COO]- 403.248991 194.9
[M+Na-2H]- 365.209806 185.1
[M]+ 344.23459142 178.7
[M]- 344.23568858 178.7
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.