CID 13075977

3b,5-dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one

Structural Information

Molecular Formula
C21H30O3
SMILES
CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O
InChI
InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3
InChIKey
GWUFXQIQXPASJU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

330.21948 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.226756 188.1
[M+Na]+ 353.208698 195.2
[M-H]- 329.212204 191.3
[M+NH4]+ 348.253303 200.5
[M+K]+ 369.182638 191.2
[M+H-H2O]+ 313.216740 185.1
[M+HCOO]- 375.217681 188.4
[M+CH3COO]- 389.233331 193.8
[M+Na-2H]- 351.194146 187.3
[M]+ 330.21893142 188.4
[M]- 330.22002858 188.4
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