CID 171118787

14beta,20(s)-14-deoxy-20-hydropoststerone

Structural Information

Molecular Formula
C21H32O4
SMILES
C[C@@H]([C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O
InChI
InChI=1S/C21H32O4/c1-11(22)13-4-5-14-12-8-17(23)16-9-18(24)19(25)10-21(16,3)15(12)6-7-20(13,14)2/h8,11,13-16,18-19,22,24-25H,4-7,9-10H2,1-3H3/t11-,13+,14+,15-,16-,18+,19-,20+,21+/m0/s1
InChIKey
VEFOZAXGMUOADG-OTAVXWSXSA-N
Compound name
(2S,3R,5R,9R,10R,13S,14S,17S)-2,3-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23007 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23735 185.8
[M+Na]+ 371.21929 190.8
[M-H]- 347.22279 186.4
[M+NH4]+ 366.26389 206.0
[M+K]+ 387.19323 185.1
[M+H-H2O]+ 331.22733 181.4
[M+HCOO]- 393.22827 190.8
[M+CH3COO]- 407.24392 210.9
[M+Na-2H]- 369.20474 183.5
[M]+ 348.22952 178.9
[M]- 348.23062 178.9
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.