CID 15516076

5-hydroxydrospirenone

Structural Information

Molecular Formula
C24H32O4
SMILES
C[C@]12CCC(=O)C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)O
InChI
InChI=1S/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24-/m0/s1
InChIKey
RQANBDIXNMIXPA-DHHRPGCOSA-N
Compound name
(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.23007 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.237346 195.9
[M+Na]+ 407.219288 203.0
[M-H]- 383.222794 201.9
[M+NH4]+ 402.263893 208.7
[M+K]+ 423.193228 200.9
[M+H-H2O]+ 367.227330 193.3
[M+HCOO]- 429.228271 194.0
[M+CH3COO]- 443.243921 201.5
[M+Na-2H]- 405.204736 193.7
[M]+ 384.22952142 197.0
[M]- 384.23061858 197.0
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.