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]+ 385.23735 195.9
[M+Na]+ 407.21929 203.0
[M-H]- 383.22279 201.9
[M+NH4]+ 402.26389 208.7
[M+K]+ 423.19323 200.9
[M+H-H2O]+ 367.22733 193.3
[M+HCOO]- 429.22827 194.0
[M+CH3COO]- 443.24392 201.5
[M+Na-2H]- 405.20474 193.7
[M]+ 384.22952 197.0
[M]- 384.23062 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.