CID 44145507

(17beta)-3-methoxy-17-propylandrosta-3,5-dien-17-ol

Structural Information

Molecular Formula
C23H36O2
SMILES
CCC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC)C)C)O
InChI
InChI=1S/C23H36O2/c1-5-11-23(24)14-10-20-18-7-6-16-15-17(25-4)8-12-21(16,2)19(18)9-13-22(20,23)3/h6,15,18-20,24H,5,7-14H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1
InChIKey
ZCJDRIHZLNGEBB-KOORYGTMSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-17-propyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.27155 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.278826 188.7
[M+Na]+ 367.260768 194.4
[M-H]- 343.264274 191.9
[M+NH4]+ 362.305373 212.3
[M+K]+ 383.234708 188.2
[M+H-H2O]+ 327.268810 181.9
[M+HCOO]- 389.269751 198.3
[M+CH3COO]- 403.285401 197.3
[M+Na-2H]- 365.246216 189.4
[M]+ 344.27100142 185.1
[M]- 344.27209858 185.1
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.